methyl 2-{[(2-acetamido-1,3-thiazol-4-yl)methyl]sulfanyl}-1,3-benzoxazole-5-carboxylate
Chemical Structure Depiction of
methyl 2-{[(2-acetamido-1,3-thiazol-4-yl)methyl]sulfanyl}-1,3-benzoxazole-5-carboxylate
methyl 2-{[(2-acetamido-1,3-thiazol-4-yl)methyl]sulfanyl}-1,3-benzoxazole-5-carboxylate
Compound characteristics
| Compound ID: | 8019-3968 |
| Compound Name: | methyl 2-{[(2-acetamido-1,3-thiazol-4-yl)methyl]sulfanyl}-1,3-benzoxazole-5-carboxylate |
| Molecular Weight: | 363.41 |
| Molecular Formula: | C15 H13 N3 O4 S2 |
| Smiles: | CC(Nc1nc(CSc2nc3cc(ccc3o2)C(=O)OC)cs1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4041 |
| logD: | 3.3965 |
| logSw: | -3.7619 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.608 |
| InChI Key: | PVFBNGLBNQMDFW-UHFFFAOYSA-N |