3-[(2-Chlorophenyl)methyl]-4-oxo-6,7,8,9-tetrahydropyrimido[4,5-b]indolizine-10-carbonitrile

Base Information

• Chemical Name: 3-[(2-Chlorophenyl)methyl]-4-oxo-6,7,8,9-tetrahydropyrimido[4,5-b]indolizine-10-carbonitrile
• CAS No.: 6035-09-2
• Molecular Formula: C18H15ClN4O
• Molecular Weight: 338.8
• DSSTox Substance ID: DTXSID10349715
• Wikidata: Q82125131
• ChEMBL ID: CHEMBL1456345
• Mol file: 6035-09-2.mol

Synonyms:6035-09-2;3-[(2-chlorophenyl)methyl]-4-oxo-6,7,8,9-tetrahydropyrimido[4,5-b]indolizine-10-carbonitrile;SMR000036371;CBMicro_041721;ChemDiv1_023545;Oprea1_206154;MLS000039221;CHEMBL1456345;HMS653O05;DTXSID10349715;HMS2445I15;STK832993;AKOS005623132;3,4-Dihydro-4-(2-chlorobenzyl)-5,6-tetramethylene-7-cyanopyrrolo[3,2-d]pyrimidinone-4;BIM-0041629.P001;AH-262/37262006;SR-01000454953;SR-01000454953-1;3-(2-chlorobenzyl)-4-oxo-3,4,6,7,8,9-hexahydropyrimido[4,5-b]indolizine-10-carbonitrile

Chemical Property of 3-[(2-Chlorophenyl)methyl]-4-oxo-6,7,8,9-tetrahydropyrimido[4,5-b]indolizine-10-carbonitrile

Chemical Property:

• Vapor Pressure: 7.86E-15mmHg at 25°C
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 338.0934388
• Heavy Atom Count: 24
• Complexity: 585

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1CCN2C(=C(C3=C2C(=O)N(C=N3)CC4=CC=CC=C4Cl)C#N)C1