methyl 4-{5-[(3S)-1,2-dithiolan-3-yl]pentanamido}benzoate
Chemical Structure Depiction of
methyl 4-{5-[(3S)-1,2-dithiolan-3-yl]pentanamido}benzoate
methyl 4-{5-[(3S)-1,2-dithiolan-3-yl]pentanamido}benzoate
Compound characteristics
| Compound ID: | Y043-2978 |
| Compound Name: | methyl 4-{5-[(3S)-1,2-dithiolan-3-yl]pentanamido}benzoate |
| Molecular Weight: | 339.47 |
| Molecular Formula: | C16 H21 N O3 S2 |
| Smiles: | COC(c1ccc(cc1)NC(CCCC[C@H]1CCSS1)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 3.7112 |
| logD: | 3.7111 |
| logSw: | -4.0357 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.848 |
| InChI Key: | QVPZBAFFQDXPFG-AWEZNQCLSA-N |