N-(3-chloro-2-methylphenyl)-N'-{1-[2-(1H-pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]ethyl}urea
Chemical Structure Depiction of
N-(3-chloro-2-methylphenyl)-N'-{1-[2-(1H-pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]ethyl}urea
N-(3-chloro-2-methylphenyl)-N'-{1-[2-(1H-pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]ethyl}urea
Compound characteristics
Compound ID: | E002-1018 |
Compound Name: | N-(3-chloro-2-methylphenyl)-N'-{1-[2-(1H-pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]ethyl}urea |
Molecular Weight: | 413.97 |
Molecular Formula: | C22 H24 Cl N3 O S |
Smiles: | CC(c1c2CCCCc2sc1n1cccc1)NC(Nc1cccc(c1C)[Cl])=O |
Stereo: | RACEMIC MIXTURE |
logP: | 6.0494 |
logD: | 6.0494 |
logSw: | -5.9799 |
Hydrogen bond acceptors count: | 2 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 37.304 |
InChI Key: | SPXBMCXSHCKYQG-HNNXBMFYSA-N |