N-(5-chloro-2-methoxyphenyl)-N'-{1-[2-(1H-pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]ethyl}urea
Chemical Structure Depiction of
N-(5-chloro-2-methoxyphenyl)-N'-{1-[2-(1H-pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]ethyl}urea
N-(5-chloro-2-methoxyphenyl)-N'-{1-[2-(1H-pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]ethyl}urea
Compound characteristics
| Compound ID: | E002-1022 |
| Compound Name: | N-(5-chloro-2-methoxyphenyl)-N'-{1-[2-(1H-pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]ethyl}urea |
| Molecular Weight: | 429.97 |
| Molecular Formula: | C22 H24 Cl N3 O2 S |
| Smiles: | CC(c1c2CCCCc2sc1n1cccc1)NC(Nc1cc(ccc1OC)[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.4949 |
| logD: | 5.4948 |
| logSw: | -5.7972 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 44.935 |
| InChI Key: | XVMXPSFFOSRNCB-AWEZNQCLSA-N |