4-(4-chloro-2-methylphenoxy)-N-[5-(4-nitrobenzene-1-sulfonyl)-1,3-thiazol-2-yl]butanamide
Chemical Structure Depiction of
4-(4-chloro-2-methylphenoxy)-N-[5-(4-nitrobenzene-1-sulfonyl)-1,3-thiazol-2-yl]butanamide
4-(4-chloro-2-methylphenoxy)-N-[5-(4-nitrobenzene-1-sulfonyl)-1,3-thiazol-2-yl]butanamide
Compound characteristics
| Compound ID: | Y032-2221 |
| Compound Name: | 4-(4-chloro-2-methylphenoxy)-N-[5-(4-nitrobenzene-1-sulfonyl)-1,3-thiazol-2-yl]butanamide |
| Molecular Weight: | 495.96 |
| Molecular Formula: | C20 H18 Cl N3 O6 S2 |
| Smiles: | Cc1cc(ccc1OCCCC(Nc1ncc(s1)S(c1ccc(cc1)[N+]([O-])=O)(=O)=O)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.1618 |
| logD: | 5.1552 |
| logSw: | -5.4982 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 104.071 |
| InChI Key: | KFNUHOAWRXWRIX-UHFFFAOYSA-N |