3-methyl-6-{[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]acetyl}-1,3-benzoxazol-2(3H)-one
Chemical Structure Depiction of
3-methyl-6-{[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]acetyl}-1,3-benzoxazol-2(3H)-one
3-methyl-6-{[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]acetyl}-1,3-benzoxazol-2(3H)-one
Compound characteristics
| Compound ID: | 8008-1550 |
| Compound Name: | 3-methyl-6-{[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]acetyl}-1,3-benzoxazol-2(3H)-one |
| Molecular Weight: | 367.38 |
| Molecular Formula: | C17 H13 N5 O3 S |
| Smiles: | CN1C(=O)Oc2cc(ccc12)C(CSc1nnnn1c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4878 |
| logD: | 2.4878 |
| logSw: | -3.0012 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 76.002 |
| InChI Key: | YYHCNVPBSXLYLB-UHFFFAOYSA-N |