Home Halogens 1H-Thieno[2,3-e]-1,4-diazepine-3-acetic acid, 5-(4-chlorophenyl)-2,3-dihydro-6,7-diMethyl-2-oxo-, 1,1-diMethylethyl ester, (3S)-

1H-Thieno[2,3-e]-1,4-diazepine-3-acetic acid, 5-(4-chlorophenyl)-2,3-dihydro-6,7-diMethyl-2-oxo-, 1,1-diMethylethyl ester, (3S)-

CAS No.:
1268524-67-9
Catalog Number:
AG009CKS
Molecular Formula:
C21H23ClN2O3S
Molecular Weight:
418.9369
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG009CKS
Chemical Name:
1H-Thieno[2,3-e]-1,4-diazepine-3-acetic acid, 5-(4-chlorophenyl)-2,3-dihydro-6,7-diMethyl-2-oxo-, 1,1-diMethylethyl ester, (3S)-
CAS Number:
1268524-67-9
Molecular Formula:
C21H23ClN2O3S
Molecular Weight:
418.9369
MDL Number:
MFCD25977228
IUPAC Name:
tert-butyl 2-[5-(4-chlorophenyl)-6,7-dimethyl-2-oxo-1,3-dihydrothieno[2,3-e][1,4]diazepin-3-yl]acetate
InChI:
InChI=1S/C21H23ClN2O3S/c1-11-12(2)28-20-17(11)18(13-6-8-14(22)9-7-13)23-15(19(26)24-20)10-16(25)27-21(3,4)5/h6-9,15H,10H2,1-5H3,(H,24,26)
InChI Key:
PKKLUYDBOVKXJD-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)C[C@@H]1N=C(c2ccc(cc2)Cl)c2c(NC1=O)sc(c2C)C
Properties
Complexity:
640  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
418.112g/mol
Formal Charge:
0
Heavy Atom Count:
28  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
418.936g/mol
Monoisotopic Mass:
418.112g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
96A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7  
Properties