2-(4-{[rel-(3aR,6aR)-5,5-dioxo-4,5,6,6a-tetrahydro-3aH-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yl]amino}phenyl)-N-[(4-methylphenyl)methyl]acetamide
Chemical Structure Depiction of
2-(4-{[rel-(3aR,6aR)-5,5-dioxo-4,5,6,6a-tetrahydro-3aH-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yl]amino}phenyl)-N-[(4-methylphenyl)methyl]acetamide
2-(4-{[rel-(3aR,6aR)-5,5-dioxo-4,5,6,6a-tetrahydro-3aH-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yl]amino}phenyl)-N-[(4-methylphenyl)methyl]acetamide
Compound characteristics
| Compound ID: | C685-0355 |
| Compound Name: | 2-(4-{[rel-(3aR,6aR)-5,5-dioxo-4,5,6,6a-tetrahydro-3aH-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yl]amino}phenyl)-N-[(4-methylphenyl)methyl]acetamide |
| Molecular Weight: | 429.56 |
| Molecular Formula: | C21 H23 N3 O3 S2 |
| Smiles: | Cc1ccc(CNC(Cc2ccc(cc2)NC2=N[C@@H]3CS(C[C@@H]3S2)(=O)=O)=O)cc1 |
| Stereo: | RELATIVE |
| logP: | 2.4112 |
| logD: | 2.4111 |
| logSw: | -2.9308 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.541 |
| InChI Key: | JDOGCIILKKZCCF-UHFFFAOYSA-N |