methyl 2-{5-[(3S)-1,2-dithiolan-3-yl]pentanamido}-4-methyl-1,3-thiazole-5-carboxylate
Chemical Structure Depiction of
methyl 2-{5-[(3S)-1,2-dithiolan-3-yl]pentanamido}-4-methyl-1,3-thiazole-5-carboxylate
methyl 2-{5-[(3S)-1,2-dithiolan-3-yl]pentanamido}-4-methyl-1,3-thiazole-5-carboxylate
Compound characteristics
| Compound ID: | Y043-3033 |
| Compound Name: | methyl 2-{5-[(3S)-1,2-dithiolan-3-yl]pentanamido}-4-methyl-1,3-thiazole-5-carboxylate |
| Molecular Weight: | 360.51 |
| Molecular Formula: | C14 H20 N2 O3 S3 |
| Smiles: | Cc1c(C(=O)OC)sc(NC(CCCC[C@H]2CCSS2)=O)n1 |
| Stereo: | ABSOLUTE |
| logP: | 3.3203 |
| logD: | 3.2439 |
| logSw: | -3.5217 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.472 |
| InChI Key: | KZNSQZFKQXWMTP-JTQLQIEISA-N |