N-[1-(adamantan-1-yl)propan-2-yl]-1-methyl-1,4-dihydro[1]benzothiopyrano[4,3-c]pyrazole-3-carboxamide
Chemical Structure Depiction of
N-[1-(adamantan-1-yl)propan-2-yl]-1-methyl-1,4-dihydro[1]benzothiopyrano[4,3-c]pyrazole-3-carboxamide
N-[1-(adamantan-1-yl)propan-2-yl]-1-methyl-1,4-dihydro[1]benzothiopyrano[4,3-c]pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | G541-1317 |
| Compound Name: | N-[1-(adamantan-1-yl)propan-2-yl]-1-methyl-1,4-dihydro[1]benzothiopyrano[4,3-c]pyrazole-3-carboxamide |
| Molecular Weight: | 421.6 |
| Molecular Formula: | C25 H31 N3 O S |
| Smiles: | CC(CC12CC3CC(CC(C3)C2)C1)NC(c1c2CSc3ccccc3c2n(C)n1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.9578 |
| logD: | 4.9578 |
| logSw: | -4.6277 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 38.45 |
| InChI Key: | PMAHETFKKNLHRO-SBNSQYLKSA-N |