N-benzyl-N'-{1-[2-(1H-pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]ethyl}urea
Chemical Structure Depiction of
N-benzyl-N'-{1-[2-(1H-pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]ethyl}urea
N-benzyl-N'-{1-[2-(1H-pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]ethyl}urea
Compound characteristics
| Compound ID: | E002-1026 |
| Compound Name: | N-benzyl-N'-{1-[2-(1H-pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]ethyl}urea |
| Molecular Weight: | 379.52 |
| Molecular Formula: | C22 H25 N3 O S |
| Smiles: | CC(c1c2CCCCc2sc1n1cccc1)NC(NCc1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.6864 |
| logD: | 4.6864 |
| logSw: | -4.39 |
| Hydrogen bond acceptors count: | 2 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 39.324 |
| InChI Key: | OBAAZMDDRILJFB-INIZCTEOSA-N |