2-[(1,3-benzoxazol-2-yl)sulfanyl]-N-[5-(4-nitrobenzene-1-sulfonyl)-1,3-thiazol-2-yl]acetamide
Chemical Structure Depiction of
2-[(1,3-benzoxazol-2-yl)sulfanyl]-N-[5-(4-nitrobenzene-1-sulfonyl)-1,3-thiazol-2-yl]acetamide
2-[(1,3-benzoxazol-2-yl)sulfanyl]-N-[5-(4-nitrobenzene-1-sulfonyl)-1,3-thiazol-2-yl]acetamide
Compound characteristics
| Compound ID: | 6438-0099 |
| Compound Name: | 2-[(1,3-benzoxazol-2-yl)sulfanyl]-N-[5-(4-nitrobenzene-1-sulfonyl)-1,3-thiazol-2-yl]acetamide |
| Molecular Weight: | 476.51 |
| Molecular Formula: | C18 H12 N4 O6 S3 |
| Smiles: | C(C(Nc1ncc(s1)S(c1ccc(cc1)[N+]([O-])=O)(=O)=O)=O)Sc1nc2ccccc2o1 |
| Stereo: | ACHIRAL |
| logP: | 4.0961 |
| logD: | 4.0927 |
| logSw: | -4.2597 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 113.23 |
| InChI Key: | DQPTUKRPXOATEW-UHFFFAOYSA-N |