N-(adamantan-1-yl)-4-{1-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-5-methyl-1H-pyrazole-4-carbonyl}-2-methylpiperazine-1-carboxamide
Chemical Structure Depiction of
N-(adamantan-1-yl)-4-{1-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-5-methyl-1H-pyrazole-4-carbonyl}-2-methylpiperazine-1-carboxamide
N-(adamantan-1-yl)-4-{1-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-5-methyl-1H-pyrazole-4-carbonyl}-2-methylpiperazine-1-carboxamide
Compound characteristics
| Compound ID: | V001-9081 |
| Compound Name: | N-(adamantan-1-yl)-4-{1-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-5-methyl-1H-pyrazole-4-carbonyl}-2-methylpiperazine-1-carboxamide |
| Molecular Weight: | 574.75 |
| Molecular Formula: | C31 H38 N6 O3 S |
| Smiles: | CC1CN(CCN1C(NC12CC3CC(CC(C3)C2)C1)=O)C(c1cnn(c1C)c1nc(cs1)c1cccc(c1)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.8812 |
| logD: | 5.881 |
| logSw: | -5.4518 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.558 |
| InChI Key: | ZFCCCWQLZPJARN-PLODJNPCSA-N |