methyl 2-phenyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-4-carboxylate

CAS: 87896-34-2

Molecular Formula	`C17H18N2O2`
Molecular Weight	282.34 g/mol
LogP	3.5
Topological Polar Surface Area	50.4 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	4
Rotatable Bonds	3
Exact Mass	282.13684
Heavy Atoms	21
Complexity	355.0

Chemical Identifiers

CAS Number	87896-34-2
SMILES	`COC(=O)C1CC(NC2=CC=CC=C2N1)C3=CC=CC=C3`
InChIKey	`NAQZJNAMQOBDQN-UHFFFAOYSA-N`

📖 Product Overview

methyl 2-phenyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-4-carboxylate (CAS: 87896-34-2) is a chemical compound with molecular formula C17H18N2O2 and molecular weight 282.34 g/mol. Its IUPAC systematic name is methyl 2-phenyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-4-carboxylate. LogP 3.5 Topological Polar Surface Area 50.4 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 4 Rotatable Bonds 3 Exact Mass 282.13684 Heavy Atoms 21 Complexity 355.0 InChI Key: NAQZJNAMQOBDQN-UHFFFAOYSA-N. SMILES: COC(=O)C1CC(NC2=CC=CC=C2N1)C3=CC=CC=C3.

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