2-(6,7-dichloro-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-(6,7-dichloro-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-(6,7-dichloro-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: | 3214-0088 |
Compound Name: | 2-(6,7-dichloro-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: | 423.32 |
Molecular Formula: | C18 H16 Cl2 N4 O2 S |
Smiles: | C1CCCc2c(CC1)c(C#N)c(N1C(Nc3cc(c(cc3N1O)[Cl])[Cl])=O)s2 |
Stereo: | ACHIRAL |
logP: | 5.5795 |
logD: | 5.4405 |
logSw: | -6.0098 |
Hydrogen bond acceptors count: | 4 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 66.992 |
InChI Key: | KMFHVIJWPNBNJI-UHFFFAOYSA-N |