4-{[5-(3,4-dimethylphenyl)-4-methyl-1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-thiazol-2-yl]methyl}-N-{3-[(propan-2-yl)oxy]propyl}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-[(propan-2-yl)oxy]propyl}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-[(propan-2-yl)oxy]propyl}benzamide
Compound characteristics
| Compound ID: | C797-1255 |
| 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-[(propan-2-yl)oxy]propyl}benzamide |
| Molecular Weight: | 484.61 |
| Molecular Formula: | C26 H32 N2 O5 S |
| Smiles: | CC(C)OCCCNC(c1ccc(CN2C(C(C)=C(c3ccc(C)c(C)c3)S2(=O)=O)=O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5726 |
| logD: | 3.5726 |
| logSw: | -3.8038 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.911 |
| InChI Key: | DHEWSDNKRVOLOB-UHFFFAOYSA-N |