1-[5-(3,4-dimethylphenyl)-4-methyl-1,1-dioxo-1H-1lambda~6~,2-thiazol-3-yl]-N-{[4-(methylsulfanyl)phenyl]methyl}piperidine-4-carboxamide
Chemical Structure Depiction of
1-[5-(3,4-dimethylphenyl)-4-methyl-1,1-dioxo-1H-1lambda~6~,2-thiazol-3-yl]-N-{[4-(methylsulfanyl)phenyl]methyl}piperidine-4-carboxamide
1-[5-(3,4-dimethylphenyl)-4-methyl-1,1-dioxo-1H-1lambda~6~,2-thiazol-3-yl]-N-{[4-(methylsulfanyl)phenyl]methyl}piperidine-4-carboxamide
Compound characteristics
| Compound ID: | G207-0158 |
| Compound Name: | 1-[5-(3,4-dimethylphenyl)-4-methyl-1,1-dioxo-1H-1lambda~6~,2-thiazol-3-yl]-N-{[4-(methylsulfanyl)phenyl]methyl}piperidine-4-carboxamide |
| Molecular Weight: | 497.68 |
| Molecular Formula: | C26 H31 N3 O3 S2 |
| Smiles: | CC1=C(c2ccc(C)c(C)c2)S(N=C1N1CCC(CC1)C(NCc1ccc(cc1)SC)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5856 |
| logD: | 4.5856 |
| logSw: | -4.2709 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.544 |
| InChI Key: | NASBRQUFCKDRSC-UHFFFAOYSA-N |