methyl 2-{5-[(3S)-1,2-dithiolan-3-yl]pentanamido}-5-(propan-2-yl)-1,3-thiazole-4-carboxylate
Chemical Structure Depiction of
methyl 2-{5-[(3S)-1,2-dithiolan-3-yl]pentanamido}-5-(propan-2-yl)-1,3-thiazole-4-carboxylate
methyl 2-{5-[(3S)-1,2-dithiolan-3-yl]pentanamido}-5-(propan-2-yl)-1,3-thiazole-4-carboxylate
Compound characteristics
| Compound ID: | Y043-3736 |
| Compound Name: | methyl 2-{5-[(3S)-1,2-dithiolan-3-yl]pentanamido}-5-(propan-2-yl)-1,3-thiazole-4-carboxylate |
| Molecular Weight: | 388.57 |
| Molecular Formula: | C16 H24 N2 O3 S3 |
| Smiles: | CC(C)c1c(C(=O)OC)nc(NC(CCCC[C@H]2CCSS2)=O)s1 |
| Stereo: | ABSOLUTE |
| logP: | 4.1965 |
| logD: | 4.1265 |
| logSw: | -4.0518 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.665 |
| InChI Key: | ZOJSGLPRFBFIOF-NSHDSACASA-N |