N-[(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazol-5-yl)methyl]-2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-[(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazol-5-yl)methyl]-2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
N-[(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazol-5-yl)methyl]-2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | 8019-5442 |
| Compound Name: | N-[(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazol-5-yl)methyl]-2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide |
| Molecular Weight: | 333.37 |
| Molecular Formula: | C14 H15 N5 O3 S |
| Smiles: | CN1C(=O)Oc2ccc(CNC(CSc3nncn3C)=O)cc12 |
| Stereo: | ACHIRAL |
| logP: | 0.1972 |
| logD: | 0.1972 |
| logSw: | -2.3217 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.07 |
| InChI Key: | MDRYJRGWRQNWDG-UHFFFAOYSA-N |