N-{1-[2-(1H-pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]ethyl}-N'-(5,6,7,8-tetrahydronaphthalen-1-yl)urea
Chemical Structure Depiction of
N-{1-[2-(1H-pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]ethyl}-N'-(5,6,7,8-tetrahydronaphthalen-1-yl)urea
N-{1-[2-(1H-pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]ethyl}-N'-(5,6,7,8-tetrahydronaphthalen-1-yl)urea
Compound characteristics
| Compound ID: | E002-1025 |
| Compound Name: | N-{1-[2-(1H-pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]ethyl}-N'-(5,6,7,8-tetrahydronaphthalen-1-yl)urea |
| Molecular Weight: | 419.59 |
| Molecular Formula: | C25 H29 N3 O S |
| Smiles: | CC(c1c2CCCCc2sc1n1cccc1)NC(Nc1cccc2CCCCc12)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.2781 |
| logD: | 6.2781 |
| logSw: | -5.4172 |
| Hydrogen bond acceptors count: | 2 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 37.225 |
| InChI Key: | XYYPWAQTBWDJEW-KRWDZBQOSA-N |