10,11-Dimethylbenzo(5,6)chromeno(2,3-b)(1,5)benzodiazepin-15(8H)-one

HCID 338399

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Basic information

CAS: 81684-72-2
Standard SMILES: Cc1cc2c(cc1C)Nc1oc3ccc4ccccc4c3c(=O)c1C=N2
InChIKey: UNIPQSFXXYTMHM-UHFFFAOYSA-N
Molecular formula: C22H16N2O2
Average molar mass: 340.4 g/mol
Monoisotopic mass: 340.12117776

Names & identifiers

Preferred name: 10,11-Dimethylbenzo(5,6)chromeno(2,3-b)(1,5)benzodiazepin-15(8H)-one
IUPAC: 18,19-dimethyl-13-oxa-15,22-diazapentacyclo[12.9.0.03,12.04,9.016,21]tricosa-1(14),3(12),4,6,8,10,16(21),17,19,22-decaen-2-one

Names & synonyms

81684-72-29IJS49TQ8610,11-Dimethylbenzo(5,6)chromeno(2,3-b)(1,5)benzodiazepin-15(8H)-oneNSC360516NSC 360516UNII-9IJS49TQ86NSC-36051610,11-Dimethylbenzo[5,6]chromeno[2,3-b][1,5]benzodiazepin-15(8H)-oneDTXSID6023123710,11-Dimethylnaphtho[1',2':5,6]pyrano[2,3-b][1,5]benzodiazepin-15(8H)-oneNAPHTHO(1',2':5,6)PYRANO(2,3-B)(1,5)BENZODIAZEPIN-15(8H)-ONE, 10,11-DIMETHYL-

Database identifiers

CAS: 81684-72-2
PubChem CID: 338399
DTXSID: DTXSID60231237
UNII: 9IJS49TQ86

Properties

Computed structural properties

XLogP: 4.7
Topological polar surface area: 50.7 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 0
Heavy atoms: 26
Formal charge: 0
Complexity: 655

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