N-{[2-(1H-pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methyl}-N'-(3,4,5-trimethoxyphenyl)urea
Chemical Structure Depiction of
N-{[2-(1H-pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methyl}-N'-(3,4,5-trimethoxyphenyl)urea
N-{[2-(1H-pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methyl}-N'-(3,4,5-trimethoxyphenyl)urea
Compound characteristics
| Compound ID: | E002-1474 |
| Compound Name: | N-{[2-(1H-pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methyl}-N'-(3,4,5-trimethoxyphenyl)urea |
| Molecular Weight: | 441.55 |
| Molecular Formula: | C23 H27 N3 O4 S |
| Smiles: | COc1cc(cc(c1OC)OC)NC(NCc1c2CCCCc2sc1n1cccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.517 |
| logD: | 4.517 |
| logSw: | -4.2605 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 61.817 |
| InChI Key: | JUDXJXREBVHTHU-UHFFFAOYSA-N |