N-(3,5-dichlorophenyl)-4,4-dimethyl-3,8-dioxo-1-sulfanylidenehexahydro-6H-pyrazolo[1,2-a][1,2,4]triazine-6-carboxamide
Chemical Structure Depiction of
N-(3,5-dichlorophenyl)-4,4-dimethyl-3,8-dioxo-1-sulfanylidenehexahydro-6H-pyrazolo[1,2-a][1,2,4]triazine-6-carboxamide
N-(3,5-dichlorophenyl)-4,4-dimethyl-3,8-dioxo-1-sulfanylidenehexahydro-6H-pyrazolo[1,2-a][1,2,4]triazine-6-carboxamide
Compound characteristics
| Compound ID: | 8018-5353 |
| Compound Name: | N-(3,5-dichlorophenyl)-4,4-dimethyl-3,8-dioxo-1-sulfanylidenehexahydro-6H-pyrazolo[1,2-a][1,2,4]triazine-6-carboxamide |
| Molecular Weight: | 401.27 |
| Molecular Formula: | C15 H14 Cl2 N4 O3 S |
| Smiles: | CC1(C)C(NC(N2C(CC(C(Nc3cc(cc(c3)[Cl])[Cl])=O)N12)=O)=S)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.3659 |
| logD: | 2.256 |
| logSw: | -3.4324 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.675 |
| InChI Key: | NAJXLZCHHGALTM-JTQLQIEISA-N |