Compound C17H16ClN3O

7-chloro-2-(dimethylamino)-5-phenyl-3H-1,4-benzodiazepin-3-ol

CAS: 76458-47-4

Molecular Formula	`C17H16ClN3O`
Molecular Weight	313.8 g/mol
LogP	2.7
Topological Polar Surface Area	48.2 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	3
Rotatable Bonds	2
Exact Mass	313.09818
Heavy Atoms	22
Complexity	457.0

Chemical Identifiers

CAS Number	76458-47-4
SMILES	`CN(C)C1=NC2=C(C=C(C=C2)Cl)C(=NC1O)C3=CC=CC=C3`
InChIKey	`PTHJLUZPRXMVTP-UHFFFAOYSA-N`

📖 Product Overview

Compound C17H16ClN3O (CAS: 76458-47-4) is a chemical compound with molecular formula C17H16ClN3O and molecular weight 313.8 g/mol. Its IUPAC systematic name is 7-chloro-2-(dimethylamino)-5-phenyl-3H-1,4-benzodiazepin-3-ol. LogP 2.7 Topological Polar Surface Area 48.2 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 3 Rotatable Bonds 2 Exact Mass 313.09818 Heavy Atoms 22 Complexity 457.0 InChI Key: PTHJLUZPRXMVTP-UHFFFAOYSA-N. SMILES: CN(C)C1=NC2=C(C=C(C=C2)Cl)C(=NC1O)C3=CC=CC=C3.

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