4-{[5-(3,4-dimethylphenyl)-4-methyl-1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-thiazol-2-yl]methyl}-N-(3-methylbutyl)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-(3-methylbutyl)benzamide
4-{[5-(3,4-dimethylphenyl)-4-methyl-1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-thiazol-2-yl]methyl}-N-(3-methylbutyl)benzamide
Compound characteristics
| Compound ID: | C797-1275 |
| 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-(3-methylbutyl)benzamide |
| Molecular Weight: | 454.59 |
| Molecular Formula: | C25 H30 N2 O4 S |
| Smiles: | CC(C)CCNC(c1ccc(CN2C(C(C)=C(c3ccc(C)c(C)c3)S2(=O)=O)=O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4327 |
| logD: | 4.4327 |
| logSw: | -4.1393 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.71 |
| InChI Key: | IXJWLUSQBCXPGF-UHFFFAOYSA-N |