2-(1-hydroxy-3-oxo-3,4-dihydro-1,2,4-benzotriazin-2(1H)-yl)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carbonitrile
Chemical Structure Depiction of
2-(1-hydroxy-3-oxo-3,4-dihydro-1,2,4-benzotriazin-2(1H)-yl)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carbonitrile
2-(1-hydroxy-3-oxo-3,4-dihydro-1,2,4-benzotriazin-2(1H)-yl)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carbonitrile
Compound characteristics
| Compound ID: | 3214-0042 |
| Compound Name: | 2-(1-hydroxy-3-oxo-3,4-dihydro-1,2,4-benzotriazin-2(1H)-yl)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carbonitrile |
| Molecular Weight: | 354.43 |
| Molecular Formula: | C18 H18 N4 O2 S |
| Smiles: | C1CCCc2c(CC1)c(C#N)c(N1C(Nc3ccccc3N1O)=O)s2 |
| Stereo: | ACHIRAL |
| logP: | 4.1526 |
| logD: | 4.0135 |
| logSw: | -4.3578 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.992 |
| InChI Key: | NRXLIAAAKNANIF-UHFFFAOYSA-N |