2-(6,7-dichloro-1-hydroxy-3-oxo-3,4-dihydro-1,2,4-benzotriazin-2(1H)-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[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)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carbonitrile
2-(6,7-dichloro-1-hydroxy-3-oxo-3,4-dihydro-1,2,4-benzotriazin-2(1H)-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carbonitrile
Compound characteristics
Compound ID: | 3214-0087 |
Compound Name: | 2-(6,7-dichloro-1-hydroxy-3-oxo-3,4-dihydro-1,2,4-benzotriazin-2(1H)-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carbonitrile |
Molecular Weight: | 409.29 |
Molecular Formula: | C17 H14 Cl2 N4 O2 S |
Smiles: | C1CCc2c(C#N)c(N3C(Nc4cc(c(cc4N3O)[Cl])[Cl])=O)sc2CC1 |
Stereo: | ACHIRAL |
logP: | 5.0836 |
logD: | 4.9446 |
logSw: | -5.4075 |
Hydrogen bond acceptors count: | 4 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 66.992 |
InChI Key: | MJFPODSCRGQGCI-UHFFFAOYSA-N |