4-[4-(4-chloro-3-nitrobenzene-1-sulfonyl)piperazin-1-yl]-2-(3-fluorophenyl)-5,6-dimethylpyrimidine
Chemical Structure Depiction of
4-[4-(4-chloro-3-nitrobenzene-1-sulfonyl)piperazin-1-yl]-2-(3-fluorophenyl)-5,6-dimethylpyrimidine
4-[4-(4-chloro-3-nitrobenzene-1-sulfonyl)piperazin-1-yl]-2-(3-fluorophenyl)-5,6-dimethylpyrimidine
Compound characteristics
| Compound ID: | V013-5088 |
| Compound Name: | 4-[4-(4-chloro-3-nitrobenzene-1-sulfonyl)piperazin-1-yl]-2-(3-fluorophenyl)-5,6-dimethylpyrimidine |
| Molecular Weight: | 505.95 |
| Molecular Formula: | C22 H21 Cl F N5 O4 S |
| Salt: | not_available |
| Smiles: | Cc1c(C)nc(c2cccc(c2)F)nc1N1CCN(CC1)S(c1ccc(c(c1)[N+]([O-])=O)[Cl])(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.6618 |
| logD: | 5.5938 |
| logSw: | -6.0297 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 87.1 |
| InChI Key: | KYIHWXLTSXQLMF-UHFFFAOYSA-N |