N-(3-chloro-4-fluorophenyl)-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-4-fluorophenyl)-N'-{1-[2-(1H-pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]ethyl}urea
N-(3-chloro-4-fluorophenyl)-N'-{1-[2-(1H-pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]ethyl}urea
Compound characteristics
| Compound ID: | E002-1016 |
| Compound Name: | N-(3-chloro-4-fluorophenyl)-N'-{1-[2-(1H-pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]ethyl}urea |
| Molecular Weight: | 417.93 |
| Molecular Formula: | C21 H21 Cl F N3 O S |
| Smiles: | CC(c1c2CCCCc2sc1n1cccc1)NC(Nc1ccc(c(c1)[Cl])F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.9713 |
| logD: | 5.971 |
| logSw: | -6.0635 |
| Hydrogen bond acceptors count: | 2 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 38.002 |
| InChI Key: | HMSBXCZJNSJPIV-ZDUSSCGKSA-N |