N-(3-ethylphenyl)-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-(3-ethylphenyl)-4-{[4-methyl-5-(4-methylphenyl)-1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-thiazol-2-yl]methyl}benzamide
N-(3-ethylphenyl)-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: | G206-2249 |
| Compound Name: | N-(3-ethylphenyl)-4-{[4-methyl-5-(4-methylphenyl)-1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-thiazol-2-yl]methyl}benzamide |
| Molecular Weight: | 474.58 |
| Molecular Formula: | C27 H26 N2 O4 S |
| Smiles: | CCc1cccc(c1)NC(c1ccc(CN2C(C(C)=C(c3ccc(C)cc3)S2(=O)=O)=O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0332 |
| logD: | 5.0331 |
| logSw: | -4.6715 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.275 |
| InChI Key: | UWCQPEIAAJSJEZ-UHFFFAOYSA-N |