7-Chloro-4-furan-2-ylmethyl-3-isopropyl-1,3,4,5-tetrahydro-1,4-benzodiazepin-2-one

HCID 475623

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Basic information

CAS: 258849-98-8
Standard SMILES: CC(C)C1C(=O)Nc2ccc(Cl)cc2CN1Cc1ccco1
InChIKey: BPAORNDTPORUEB-UHFFFAOYSA-N
Molecular formula: C17H19ClN2O2
Average molar mass: 318.8 g/mol
Monoisotopic mass: 318.1135055

Names & identifiers

Preferred name: 7-Chloro-4-furan-2-ylmethyl-3-isopropyl-1,3,4,5-tetrahydro-1,4-benzodiazepin-2-one
IUPAC: 7-chloro-4-(furan-2-ylmethyl)-3-propan-2-yl-3,5-dihydro-1H-1,4-benzodiazepin-2-one

Names & synonyms

258849-98-87-Chloro-4-furan-2-ylmethyl-3-isopropyl-1,3,4,5-tetrahydro-1,4-benzodiazepin-2-one2H-1,4-Benzodiazepin-2-one, 7-chloro-4-(2-furanylmethyl)-1,3,4,5-tetrahydro-3-(1-methylethyl)-DTXSID209487787-chloro-4-(2-furylmethyl)-3-isopropyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one7-Chloro-4-[(furan-2-yl)methyl]-3-(propan-2-yl)-1,3,4,5-tetrahydro-2H-1,4-benzodiazepin-2-one

Database identifiers

CAS: 258849-98-8
PubChem CID: 475623
DTXSID: DTXSID20948778

Properties

Computed structural properties

XLogP: 3.3
Topological polar surface area: 45.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 22
Formal charge: 0
Complexity: 404

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