N-(4-chlorophenyl)-4,4-dimethyl-3,8-dioxo-1-sulfanylidenehexahydro-6H-pyrazolo[1,2-a][1,2,4]triazine-6-carboxamide
Chemical Structure Depiction of
N-(4-chlorophenyl)-4,4-dimethyl-3,8-dioxo-1-sulfanylidenehexahydro-6H-pyrazolo[1,2-a][1,2,4]triazine-6-carboxamide
N-(4-chlorophenyl)-4,4-dimethyl-3,8-dioxo-1-sulfanylidenehexahydro-6H-pyrazolo[1,2-a][1,2,4]triazine-6-carboxamide
Compound characteristics
| Compound ID: | 8018-6044 |
| Compound Name: | N-(4-chlorophenyl)-4,4-dimethyl-3,8-dioxo-1-sulfanylidenehexahydro-6H-pyrazolo[1,2-a][1,2,4]triazine-6-carboxamide |
| Molecular Weight: | 366.82 |
| Molecular Formula: | C15 H15 Cl N4 O3 S |
| Smiles: | CC1(C)C(NC(N2C(CC(C(Nc3ccc(cc3)[Cl])=O)N12)=O)=S)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.4301 |
| logD: | 1.3202 |
| logSw: | -2.7547 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.675 |
| InChI Key: | XRRSWSHFYVBDPS-JTQLQIEISA-N |