2-[(3-oxocyclohex-1-en-1-yl)amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carbonitrile
Chemical Structure Depiction of
2-[(3-oxocyclohex-1-en-1-yl)amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carbonitrile
2-[(3-oxocyclohex-1-en-1-yl)amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carbonitrile
Compound characteristics
| Compound ID: | 8015-9164 |
| Compound Name: | 2-[(3-oxocyclohex-1-en-1-yl)amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carbonitrile |
| Molecular Weight: | 300.42 |
| Molecular Formula: | C17 H20 N2 O S |
| Smiles: | C1CCCc2c(CC1)c(C#N)c(NC1CCCC(C=1)=O)s2 |
| Stereo: | ACHIRAL |
| logP: | 4.0463 |
| logD: | 0.0499 |
| logSw: | -4.2688 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.368 |
| InChI Key: | SJTAZRDIBWXXOL-UHFFFAOYSA-N |