N-(3-chloro-4-methylphenyl)-3'-phenyl-5'H,7'H-spiro[cyclohexane-1,6'-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine]-7'-carboxamide
Chemical Structure Depiction of
N-(3-chloro-4-methylphenyl)-3'-phenyl-5'H,7'H-spiro[cyclohexane-1,6'-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine]-7'-carboxamide
N-(3-chloro-4-methylphenyl)-3'-phenyl-5'H,7'H-spiro[cyclohexane-1,6'-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine]-7'-carboxamide
Compound characteristics
| Compound ID: | D137-0166 |
| Compound Name: | N-(3-chloro-4-methylphenyl)-3'-phenyl-5'H,7'H-spiro[cyclohexane-1,6'-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine]-7'-carboxamide |
| Molecular Weight: | 453.99 |
| Molecular Formula: | C23 H24 Cl N5 O S |
| Smiles: | Cc1ccc(cc1[Cl])NC(C1C2(CCCCC2)Nn2c(c3ccccc3)nnc2S1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.8933 |
| logD: | 5.8919 |
| logSw: | -5.8877 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 60.062 |
| InChI Key: | VKIUPLCZXXGOPW-LJQANCHMSA-N |