N-[(4-methylphenyl)methyl]-N'-{[2-(1H-pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methyl}urea
Chemical Structure Depiction of
N-[(4-methylphenyl)methyl]-N'-{[2-(1H-pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methyl}urea
N-[(4-methylphenyl)methyl]-N'-{[2-(1H-pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methyl}urea
Compound characteristics
| Compound ID: | E002-1487 |
| Compound Name: | N-[(4-methylphenyl)methyl]-N'-{[2-(1H-pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methyl}urea |
| Molecular Weight: | 379.52 |
| Molecular Formula: | C22 H25 N3 O S |
| Smiles: | Cc1ccc(CNC(NCc2c3CCCCc3sc2n2cccc2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.8085 |
| logD: | 4.8085 |
| logSw: | -4.4988 |
| Hydrogen bond acceptors count: | 2 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 40.161 |
| InChI Key: | XMBXZTAIINZNBM-UHFFFAOYSA-N |