3'-{[(2-chlorophenyl)methyl]sulfanyl}-7'H-spiro[cyclohexane-1,6'-[1,2,4]triazino[5,6-d][3,1]benzoxazepine]
Chemical Structure Depiction of
3'-{[(2-chlorophenyl)methyl]sulfanyl}-7'H-spiro[cyclohexane-1,6'-[1,2,4]triazino[5,6-d][3,1]benzoxazepine]
3'-{[(2-chlorophenyl)methyl]sulfanyl}-7'H-spiro[cyclohexane-1,6'-[1,2,4]triazino[5,6-d][3,1]benzoxazepine]
Compound characteristics
Compound ID: | 4896-3978 |
Compound Name: | 3'-{[(2-chlorophenyl)methyl]sulfanyl}-7'H-spiro[cyclohexane-1,6'-[1,2,4]triazino[5,6-d][3,1]benzoxazepine] |
Molecular Weight: | 424.95 |
Molecular Formula: | C22 H21 Cl N4 O S |
Smiles: | C1CCC2(CC1)Nc1ccccc1c1c(nc(nn1)SCc1ccccc1[Cl])O2 |
Stereo: | ACHIRAL |
logP: | 5.7233 |
logD: | 5.7233 |
logSw: | -6.0078 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 51.132 |
InChI Key: | XPOJGKOMAXHZHH-UHFFFAOYSA-N |