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Home > Other Heterocycles > 157047-98-8
157047-98-8 | Spiro[oxirane-2,7'(13'H)-quinazolino[3,2-a][1,4]benzodiazepine]-5',13'(6'H)-dione, 6'-methyl-3-phenyl-, (2R,3S)-rel-(+)- (9CI)
CAS No: 157047-98-8 Catalog No: AG001P5V MDL No:
Product Description
Catalog Number:
AG001P5V
Chemical Name:
Spiro[oxirane-2,7'(13'H)-quinazolino[3,2-a][1,4]benzodiazepine]-5',13'(6'H)-dione, 6'-methyl-3-phenyl-, (2R,3S)-rel-(+)- (9CI)
CAS Number:
157047-98-8
Molecular Formula:
C24H17N3O3
Molecular Weight:
395.4101
IUPAC Name:
6'-methyl-3-phenylspiro[oxirane-2,7'-quinazolino[3,2-a][1,4]benzodiazepine]-5',13'-dione
InChI:
InChI=1S/C24H17N3O3/c1-26-21(28)17-12-6-8-14-19(17)27-22(29)16-11-5-7-13-18(16)25-23(27)24(26)20(30-24)15-9-3-2-4-10-15/h2-14,20H,1H3
InChI Key:
TWDKBDSVUUKABK-UHFFFAOYSA-N
SMILES:
O=c1c2ccccc2nc2n1c1ccccc1C(=O)N([C@]12O[C@H]1c1ccccc1)C
Properties
Complexity:
776
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
395.127g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
395.418g/mol
Monoisotopic Mass:
395.127g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
65.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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