3'-{[(4-chlorophenyl)methyl]sulfanyl}-7'H-spiro[cyclohexane-1,6'-[1,2,4]triazino[5,6-d][3,1]benzoxazepine]
Chemical Structure Depiction of
3'-{[(4-chlorophenyl)methyl]sulfanyl}-7'H-spiro[cyclohexane-1,6'-[1,2,4]triazino[5,6-d][3,1]benzoxazepine]
3'-{[(4-chlorophenyl)methyl]sulfanyl}-7'H-spiro[cyclohexane-1,6'-[1,2,4]triazino[5,6-d][3,1]benzoxazepine]
Compound characteristics
| Compound ID: | 6753-1119 |
| Compound Name: | 3'-{[(4-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)SCc1ccc(cc1)[Cl])O2 |
| Stereo: | ACHIRAL |
| logP: | 5.3817 |
| logD: | 5.3817 |
| logSw: | -5.9975 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.132 |
| InChI Key: | KEFUIYNQAAFOCF-UHFFFAOYSA-N |