N-[3-chloro-4-(1H-pyrrol-1-yl)phenyl]-4-[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidine-2-sulfonyl]butanamide
Chemical Structure Depiction of
N-[3-chloro-4-(1H-pyrrol-1-yl)phenyl]-4-[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidine-2-sulfonyl]butanamide
N-[3-chloro-4-(1H-pyrrol-1-yl)phenyl]-4-[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidine-2-sulfonyl]butanamide
Compound characteristics
| Compound ID: | C071-0529 |
| Compound Name: | N-[3-chloro-4-(1H-pyrrol-1-yl)phenyl]-4-[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidine-2-sulfonyl]butanamide |
| Molecular Weight: | 609.02 |
| Molecular Formula: | C27 H24 Cl F3 N4 O5 S |
| Smiles: | COc1ccc(cc1OC)c1cc(C(F)(F)F)nc(n1)S(CCCC(Nc1ccc(c(c1)[Cl])n1cccc1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0098 |
| logD: | 5.0071 |
| logSw: | -5.274 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.948 |
| InChI Key: | HZXLNRZJFNYICR-UHFFFAOYSA-N |