N-(2,5-dimethylphenyl)-N'-{[2-(1H-pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methyl}urea
Chemical Structure Depiction of
N-(2,5-dimethylphenyl)-N'-{[2-(1H-pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methyl}urea
N-(2,5-dimethylphenyl)-N'-{[2-(1H-pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methyl}urea
Compound characteristics
| Compound ID: | E002-1448 |
| Compound Name: | N-(2,5-dimethylphenyl)-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(C)c(c1)NC(NCc1c2CCCCc2sc1n1cccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1786 |
| logD: | 5.1786 |
| logSw: | -4.8699 |
| Hydrogen bond acceptors count: | 2 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 38.141 |
| InChI Key: | VYAFFYJWUJLCMH-UHFFFAOYSA-N |