N-(3-chloro-2-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-2-methylphenyl)-N'-{[2-(1H-pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methyl}urea
N-(3-chloro-2-methylphenyl)-N'-{[2-(1H-pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methyl}urea
Compound characteristics
| Compound ID: | E002-1467 |
| Compound Name: | N-(3-chloro-2-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: | Cc1c(cccc1[Cl])NC(NCc1c2CCCCc2sc1n1cccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.9447 |
| logD: | 5.9447 |
| logSw: | -5.9525 |
| Hydrogen bond acceptors count: | 2 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 38.141 |
| InChI Key: | PUJCNOOWWVBCIH-UHFFFAOYSA-N |