N-butyl-4-{[4-methyl-5-(4-methylphenyl)-1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-thiazol-2-yl]methyl}benzamide
Chemical Structure Depiction of
N-butyl-4-{[4-methyl-5-(4-methylphenyl)-1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-thiazol-2-yl]methyl}benzamide
N-butyl-4-{[4-methyl-5-(4-methylphenyl)-1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-thiazol-2-yl]methyl}benzamide
Compound characteristics
| Compound ID: | G206-2268 |
| Compound Name: | N-butyl-4-{[4-methyl-5-(4-methylphenyl)-1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-thiazol-2-yl]methyl}benzamide |
| Molecular Weight: | 426.53 |
| Molecular Formula: | C23 H26 N2 O4 S |
| Smiles: | CCCCNC(c1ccc(CN2C(C(C)=C(c3ccc(C)cc3)S2(=O)=O)=O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7211 |
| logD: | 3.7211 |
| logSw: | -3.7816 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.71 |
| InChI Key: | BAPYLDZFDDFCDL-UHFFFAOYSA-N |