4-chloro-3-{[rel-(3aR,6aR)-5,5-dioxo-4,5,6,6a-tetrahydro-3aH-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yl]amino}-N-[(4-methylphenyl)methyl]benzamide
Chemical Structure Depiction of
4-chloro-3-{[rel-(3aR,6aR)-5,5-dioxo-4,5,6,6a-tetrahydro-3aH-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yl]amino}-N-[(4-methylphenyl)methyl]benzamide
4-chloro-3-{[rel-(3aR,6aR)-5,5-dioxo-4,5,6,6a-tetrahydro-3aH-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yl]amino}-N-[(4-methylphenyl)methyl]benzamide
Compound characteristics
| Compound ID: | K248-0115 |
| Compound Name: | 4-chloro-3-{[rel-(3aR,6aR)-5,5-dioxo-4,5,6,6a-tetrahydro-3aH-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yl]amino}-N-[(4-methylphenyl)methyl]benzamide |
| Molecular Weight: | 449.98 |
| Molecular Formula: | C20 H20 Cl N3 O3 S2 |
| Smiles: | Cc1ccc(CNC(c2ccc(c(c2)NC2=N[C@@H]3CS(C[C@@H]3S2)(=O)=O)[Cl])=O)cc1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.2967 |
| logD: | 3.2965 |
| logSw: | -3.7018 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.057 |
| InChI Key: | IKGNBFWDCQKWKQ-UHFFFAOYSA-N |