N-(adamantan-1-yl)-N'-{1-[2-(1H-pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]ethyl}urea
Chemical Structure Depiction of
N-(adamantan-1-yl)-N'-{1-[2-(1H-pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]ethyl}urea
N-(adamantan-1-yl)-N'-{1-[2-(1H-pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]ethyl}urea
Compound characteristics
| Compound ID: | E002-0996 |
| Compound Name: | N-(adamantan-1-yl)-N'-{1-[2-(1H-pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]ethyl}urea |
| Molecular Weight: | 423.62 |
| Molecular Formula: | C25 H33 N3 O S |
| Smiles: | CC(c1c2CCCCc2sc1n1cccc1)NC(NC12CC3CC(CC(C3)C2)C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.9808 |
| logD: | 5.9808 |
| logSw: | -5.2849 |
| Hydrogen bond acceptors count: | 2 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 39.02 |
| InChI Key: | QIYJOPJNXZNKOH-DUXBZUBYSA-N |