N-benzyl-N'-{[2-(1H-pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methyl}urea
Chemical Structure Depiction of
N-benzyl-N'-{[2-(1H-pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methyl}urea
N-benzyl-N'-{[2-(1H-pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methyl}urea
Compound characteristics
| Compound ID: | E002-1475 |
| Compound Name: | N-benzyl-N'-{[2-(1H-pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methyl}urea |
| Molecular Weight: | 365.5 |
| Molecular Formula: | C21 H23 N3 O S |
| Smiles: | C1CCc2c(C1)c(CNC(NCc1ccccc1)=O)c(n1cccc1)s2 |
| Stereo: | ACHIRAL |
| logP: | 4.3851 |
| logD: | 4.3851 |
| logSw: | -4.4009 |
| Hydrogen bond acceptors count: | 2 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 40.161 |
| InChI Key: | MEXUZRUUCLIJME-UHFFFAOYSA-N |