[4-(4-chloro-3-nitrobenzene-1-sulfonyl)-3-methylpiperazin-1-yl]{1-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-5-(propan-2-yl)-1H-pyrazol-4-yl}methanone
Chemical Structure Depiction of
[4-(4-chloro-3-nitrobenzene-1-sulfonyl)-3-methylpiperazin-1-yl]{1-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-5-(propan-2-yl)-1H-pyrazol-4-yl}methanone
[4-(4-chloro-3-nitrobenzene-1-sulfonyl)-3-methylpiperazin-1-yl]{1-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-5-(propan-2-yl)-1H-pyrazol-4-yl}methanone
Compound characteristics
| Compound ID: | V009-7713 |
| Compound Name: | [4-(4-chloro-3-nitrobenzene-1-sulfonyl)-3-methylpiperazin-1-yl]{1-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-5-(propan-2-yl)-1H-pyrazol-4-yl}methanone |
| Molecular Weight: | 645.16 |
| Molecular Formula: | C28 H29 Cl N6 O6 S2 |
| Smiles: | CC(C)c1c(cnn1c1nc(cs1)c1cccc(c1)OC)C(N1CCN(C(C)C1)S(c1ccc(c(c1)[N+]([O-])=O)[Cl])(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.4435 |
| logD: | 6.4435 |
| logSw: | -6.2702 |
| Hydrogen bond acceptors count: | 14 |
| Polar surface area: | 111.669 |
| InChI Key: | MIBSUGSKCORJBK-SFHVURJKSA-N |