N-(3-chloro-4-methylphenyl)-N'-{[2-(1H-pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methyl}urea
Chemical Structure Depiction of
N-(3-chloro-4-methylphenyl)-N'-{[2-(1H-pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methyl}urea
N-(3-chloro-4-methylphenyl)-N'-{[2-(1H-pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methyl}urea
Compound characteristics
| Compound ID: | E002-1446 |
| Compound Name: | N-(3-chloro-4-methylphenyl)-N'-{[2-(1H-pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methyl}urea |
| Molecular Weight: | 399.94 |
| Molecular Formula: | C21 H22 Cl N3 O S |
| Smiles: | Cc1ccc(cc1[Cl])NC(NCc1c2CCCCc2sc1n1cccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.5267 |
| logD: | 6.5266 |
| logSw: | -6.1945 |
| Hydrogen bond acceptors count: | 2 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 38.839 |
| InChI Key: | GXRNVYODMZDOPQ-UHFFFAOYSA-N |