N-{1-[2-(1H-pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]ethyl}-N'-(3,4,5-trimethoxyphenyl)urea
Chemical Structure Depiction of
N-{1-[2-(1H-pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]ethyl}-N'-(3,4,5-trimethoxyphenyl)urea
N-{1-[2-(1H-pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]ethyl}-N'-(3,4,5-trimethoxyphenyl)urea
Compound characteristics
| Compound ID: | E002-1020 |
| Compound Name: | N-{1-[2-(1H-pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]ethyl}-N'-(3,4,5-trimethoxyphenyl)urea |
| Molecular Weight: | 455.58 |
| Molecular Formula: | C24 H29 N3 O4 S |
| Smiles: | CC(c1c2CCCCc2sc1n1cccc1)NC(Nc1cc(c(c(c1)OC)OC)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.6217 |
| logD: | 4.6217 |
| logSw: | -4.3286 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 60.98 |
| InChI Key: | VAGQFPLMSKKCIF-HNNXBMFYSA-N |