3-(4-methylbenzene-1-sulfonyl)-6-nitro-1,3-benzoxazol-2(3H)-one
Chemical Structure Depiction of
3-(4-methylbenzene-1-sulfonyl)-6-nitro-1,3-benzoxazol-2(3H)-one
3-(4-methylbenzene-1-sulfonyl)-6-nitro-1,3-benzoxazol-2(3H)-one
Compound characteristics
| Compound ID: | 0217-0021 |
| Compound Name: | 3-(4-methylbenzene-1-sulfonyl)-6-nitro-1,3-benzoxazol-2(3H)-one |
| Molecular Weight: | 334.3 |
| Molecular Formula: | C14 H10 N2 O6 S |
| Smiles: | Cc1ccc(cc1)S(N1C(=O)Oc2cc(ccc12)[N+]([O-])=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8493 |
| logD: | 2.8493 |
| logSw: | -3.5482 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 85.649 |
| InChI Key: | OFIWHOXLLIPOGG-UHFFFAOYSA-N |