Ro-5-3590

7-nitro-5-[2-(trifluoromethyl)phenyl]-1,3-dihydro-1,4-benzodiazepin-2-one

CAS: 1427-45-8

Molecular Formula	`C16H10F3N3O3`
Molecular Weight	349.26 g/mol
LogP	2.3
Topological Polar Surface Area	87.3 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	7
Rotatable Bonds	1
Exact Mass	349.0674
Heavy Atoms	25
Complexity	573.0

Chemical Identifiers

CAS Number	1427-45-8
SMILES	`C1C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C(=N1)C3=CC=CC=C3C(F)(F)F`
InChIKey	`YXJKYWVZADCRMD-UHFFFAOYSA-N`

📖 Product Overview

Ro-5-3590 (CAS: 1427-45-8) is a chemical compound with molecular formula C16H10F3N3O3 and molecular weight 349.26 g/mol. Its IUPAC systematic name is 7-nitro-5-[2-(trifluoromethyl)phenyl]-1,3-dihydro-1,4-benzodiazepin-2-one. LogP 2.3 Topological Polar Surface Area 87.3 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 7 Rotatable Bonds 1 Exact Mass 349.0674 Heavy Atoms 25 Complexity 573.0 InChI Key: YXJKYWVZADCRMD-UHFFFAOYSA-N. SMILES: C1C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C(=N1)C3=CC=CC=C3C(F)(F)F.

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