N-{2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]ethyl}-3-nitrobenzamide
Chemical Structure Depiction of
N-{2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]ethyl}-3-nitrobenzamide
N-{2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]ethyl}-3-nitrobenzamide
Compound characteristics
| Compound ID: | G856-2887 |
| Compound Name: | N-{2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]ethyl}-3-nitrobenzamide |
| Molecular Weight: | 381.45 |
| Molecular Formula: | C20 H19 N3 O3 S |
| Smiles: | Cc1cccc(c1)c1nc(C)c(CCNC(c2cccc(c2)[N+]([O-])=O)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 4.5 |
| logD: | 4.5 |
| logSw: | -4.3582 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.186 |
| InChI Key: | JMRMQIPMIQTHDU-UHFFFAOYSA-N |