4-{[5-(3,4-dimethylphenyl)-4-methyl-1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-thiazol-2-yl]methyl}-N-[(pyridin-2-yl)methyl]benzamide
Chemical Structure Depiction of
4-{[5-(3,4-dimethylphenyl)-4-methyl-1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-thiazol-2-yl]methyl}-N-[(pyridin-2-yl)methyl]benzamide
4-{[5-(3,4-dimethylphenyl)-4-methyl-1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-thiazol-2-yl]methyl}-N-[(pyridin-2-yl)methyl]benzamide
Compound characteristics
| Compound ID: | C797-1289 |
| Compound Name: | 4-{[5-(3,4-dimethylphenyl)-4-methyl-1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-thiazol-2-yl]methyl}-N-[(pyridin-2-yl)methyl]benzamide |
| Molecular Weight: | 475.57 |
| Molecular Formula: | C26 H25 N3 O4 S |
| Smiles: | CC1=C(c2ccc(C)c(C)c2)S(N(Cc2ccc(cc2)C(NCc2ccccn2)=O)C1=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4964 |
| logD: | 3.4963 |
| logSw: | -3.7701 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.14 |
| InChI Key: | YUNPWCPCISKNCG-UHFFFAOYSA-N |