N-(4-methoxyphenyl)-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-(4-methoxyphenyl)-3'-phenyl-5'H,7'H-spiro[cyclohexane-1,6'-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine]-7'-carboxamide
N-(4-methoxyphenyl)-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: | D137-0174 |
| Compound Name: | N-(4-methoxyphenyl)-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: | 435.55 |
| Molecular Formula: | C23 H25 N5 O2 S |
| Smiles: | COc1ccc(cc1)NC(C1C2(CCCCC2)Nn2c(c3ccccc3)nnc2S1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4855 |
| logD: | 4.4855 |
| logSw: | -4.222 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.605 |
| InChI Key: | JEEJUTSYLGJQEU-LJQANCHMSA-N |