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200264-20-6 | 1H-1,5-Benzodiazepine, 2,3-dihydro-4-(4-morpholinyl)-2-phenyl-
CAS No: 200264-20-6 Catalog No: AG002CN6 MDL No:
Product Description
Catalog Number:
AG002CN6
Chemical Name:
1H-1,5-Benzodiazepine, 2,3-dihydro-4-(4-morpholinyl)-2-phenyl-
CAS Number:
200264-20-6
Molecular Formula:
C19H21N3O
Molecular Weight:
307.3895
IUPAC Name:
4-(2-phenyl-2,3-dihydro-1H-1,5-benzodiazepin-4-yl)morpholine
InChI:
InChI=1S/C19H21N3O/c1-2-6-15(7-3-1)18-14-19(22-10-12-23-13-11-22)21-17-9-5-4-8-16(17)20-18/h1-9,18,20H,10-14H2
InChI Key:
MQIYEOHPAQDLOE-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)C1CC(=Nc2c(N1)cccc2)N1CCOCC1
NSC Number:
705843
Properties
Complexity:
413
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
307.168g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
307.397g/mol
Monoisotopic Mass:
307.168g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
36.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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