Home Carbonyls N-[4-({4-methyl-3,5,9-triazatricyclo[8.4.0.0^{2,6}]tetradeca-1(14),2(6),4,10,12-pentaen-9-yl}carbonyl)phenyl]-2-phenylbenzamide hydrochloride

N-[4-({4-methyl-3,5,9-triazatricyclo[8.4.0.0^{2,6}]tetradeca-1(14),2(6),4,10,12-pentaen-9-yl}carbonyl)phenyl]-2-phenylbenzamide hydrochloride

CAS No.:
168626-94-6
Catalog Number:
AG001Y6H
Molecular Formula:
C32H27ClN4O2
Molecular Weight:
535.0354
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
98%
In Stock USA
United States
$200
- +
1g
98%
In Stock USA
United States
$475
- +
5g
98%
In Stock USA
United States
$1500
- +
Product Description
Catalog Number:
AG001Y6H
Chemical Name:
N-[4-({4-methyl-3,5,9-triazatricyclo[8.4.0.0^{2,6}]tetradeca-1(14),2(6),4,10,12-pentaen-9-yl}carbonyl)phenyl]-2-phenylbenzamide hydrochloride
CAS Number:
168626-94-6
Molecular Formula:
C32H27ClN4O2
Molecular Weight:
535.0354
MDL Number:
MFCD00945712
IUPAC Name:
N-[4-(2-methyl-4,5-dihydro-3H-imidazo[4,5-d][1]benzazepine-6-carbonyl)phenyl]-2-phenylbenzamide;hydrochloride
InChI:
InChI=1S/C32H26N4O2.ClH/c1-21-33-28-19-20-36(29-14-8-7-13-27(29)30(28)34-21)32(38)23-15-17-24(18-16-23)35-31(37)26-12-6-5-11-25(26)22-9-3-2-4-10-22;/h2-18H,19-20H2,1H3,(H,33,34)(H,35,37);1H
InChI Key:
BTYHAFSDANBVMJ-UHFFFAOYSA-N
SMILES:
Cc1[nH]c2c(n1)CCN(c1c2cccc1)C(=O)c1ccc(cc1)NC(=O)c1ccccc1c1ccccc1.Cl
UNII:
75L57R6X36
Properties
Complexity:
820  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
534.182g/mol
Formal Charge:
0
Heavy Atom Count:
39  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
535.044g/mol
Monoisotopic Mass:
534.182g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
78.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
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Properties