N-(adamantan-1-yl)-N'-{[2-(1H-pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methyl}urea
Chemical Structure Depiction of
N-(adamantan-1-yl)-N'-{[2-(1H-pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methyl}urea
N-(adamantan-1-yl)-N'-{[2-(1H-pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methyl}urea
Compound characteristics
| Compound ID: | E002-1461 |
| Compound Name: | N-(adamantan-1-yl)-N'-{[2-(1H-pyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methyl}urea |
| Molecular Weight: | 409.59 |
| Molecular Formula: | C24 H31 N3 O S |
| Smiles: | C1CCc2c(C1)c(CNC(NC13CC4CC(CC(C4)C3)C1)=O)c(n1cccc1)s2 |
| Stereo: | ACHIRAL |
| logP: | 5.8762 |
| logD: | 5.8762 |
| logSw: | -5.5733 |
| Hydrogen bond acceptors count: | 2 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 39.857 |
| InChI Key: | SGWZTRMKZPZFER-UHFFFAOYSA-N |