N-(3-chlorophenyl)-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-chlorophenyl)-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-chlorophenyl)-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: | D137-0161 |
| Compound Name: | N-(3-chlorophenyl)-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: | 439.97 |
| Molecular Formula: | C22 H22 Cl N5 O S |
| Smiles: | C1CCC2(CC1)C(C(Nc1cccc(c1)[Cl])=O)Sc1nnc(c3ccccc3)n1N2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.2567 |
| logD: | 5.2556 |
| logSw: | -5.7266 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 60.062 |
| InChI Key: | OJQQLLHDBPBLRA-GOSISDBHSA-N |