4-[({1-[4-(adamantan-1-yl)phenyl]-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene}methyl)amino]-N-(3-methoxypyrazin-2-yl)benzene-1-sulfonamide
Chemical Structure Depiction of
4-[({1-[4-(adamantan-1-yl)phenyl]-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene}methyl)amino]-N-(3-methoxypyrazin-2-yl)benzene-1-sulfonamide
4-[({1-[4-(adamantan-1-yl)phenyl]-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene}methyl)amino]-N-(3-methoxypyrazin-2-yl)benzene-1-sulfonamide
Compound characteristics
| Compound ID: | 7514-0993 |
| Compound Name: | 4-[({1-[4-(adamantan-1-yl)phenyl]-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene}methyl)amino]-N-(3-methoxypyrazin-2-yl)benzene-1-sulfonamide |
| Molecular Weight: | 598.72 |
| Molecular Formula: | C32 H34 N6 O4 S |
| Smiles: | CC1/C(=C/Nc2ccc(cc2)S(Nc2c(nccn2)OC)(=O)=O)C(N(c2ccc(cc2)C23CC4CC(CC(C4)C3)C2)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.275 |
| logD: | 4.7743 |
| logSw: | -5.59 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 104.636 |
| InChI Key: | ISGHTMRAKOOFPC-UHFFFAOYSA-N |