Home Halogens 13'-bromo-8'-methyl-2',8'-diazaspiro[cyclopropane-1,9'-tricyclo[8.4.0.0,2,6]tetradecane]-1'(14'),3',5',10',12'-pentaen-7'-one

13'-bromo-8'-methyl-2',8'-diazaspiro[cyclopropane-1,9'-tricyclo[8.4.0.0,2,6]tetradecane]-1'(14'),3',5',10',12'-pentaen-7'-one

CAS No.:
2097740-29-7
Catalog Number:
AG01ELCX
Molecular Formula:
C15H13BrN2O
Molecular Weight:
317.1805
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Product Description
Catalog Number:
AG01ELCX
Chemical Name:
13'-bromo-8'-methyl-2',8'-diazaspiro[cyclopropane-1,9'-tricyclo[8.4.0.0,2,6]tetradecane]-1'(14'),3',5',10',12'-pentaen-7'-one
CAS Number:
2097740-29-7
Molecular Formula:
C15H13BrN2O
Molecular Weight:
317.1805
MDL Number:
MFCD31616348
IUPAC Name:
9'-bromo-5'-methylspiro[cyclopropane-1,6'-pyrrolo[1,2-a][1,4]benzodiazepine]-4'-one
InChI:
InChI=1S/C15H13BrN2O/c1-17-14(19)12-3-2-8-18(12)13-9-10(16)4-5-11(13)15(17)6-7-15/h2-5,8-9H,6-7H2,1H3
InChI Key:
MJGQFIGNGHDQHI-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)n1cccc1C(=O)N(C12CC1)C
Properties
Complexity:
409  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
316.021g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
317.186g/mol
Monoisotopic Mass:
316.021g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
25.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Properties