Urea, (10,11-dihydro-5H-benzo(4,5)cyclohepta(1,2-b)pyridin-5-yl)-

HCID 214749

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Basic information

CAS: 34144-48-4
Standard SMILES: NC(=O)NC1c2ccccc2CCc2ncccc21
InChIKey: QBXPWUXKKKUGDO-UHFFFAOYSA-N
Molecular formula: C15H15N3O
Average molar mass: 253.3 g/mol
Monoisotopic mass: 253.12151211

Names & identifiers

Preferred name: Urea, (10,11-dihydro-5H-benzo(4,5)cyclohepta(1,2-b)pyridin-5-yl)-
IUPAC: 7-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-ylurea

Names & synonyms

BRN 041883034144-48-4(10,11-Dihydro-5H-benzo(4,5)cyclohepta(1,2-b)pyrid-5-yl)urea(10,11-Dihydro-5H-benzo(4,5)cyclohepta(1,2-b)pyridin-5-yl)ureaUrea, (10,11-dihydro-5H-benzo(4,5)cyclohepta(1,2-b)pyridin-5-yl)-RefChem:387072DTXSID80955685N-(10,11-Dihydro-5H-benzo[4,5]cyclohepta[1,2-b]pyridin-5-yl)carbamimidic acid

Database identifiers

CAS: 34144-48-4
PubChem CID: 214749
DTXSID: DTXSID80955685

Properties

Computed structural properties

XLogP: 1.4
Topological polar surface area: 68 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 19
Formal charge: 0
Complexity: 333

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