3-(1,3-dioxolan-2-yl)-6-nitro-4-(phenylsulfanyl)-1,2-benzoxazole
Chemical Structure Depiction of
3-(1,3-dioxolan-2-yl)-6-nitro-4-(phenylsulfanyl)-1,2-benzoxazole
3-(1,3-dioxolan-2-yl)-6-nitro-4-(phenylsulfanyl)-1,2-benzoxazole
Compound characteristics
| Compound ID: | 8012-5618 |
| Compound Name: | 3-(1,3-dioxolan-2-yl)-6-nitro-4-(phenylsulfanyl)-1,2-benzoxazole |
| Molecular Weight: | 344.34 |
| Molecular Formula: | C16 H12 N2 O5 S |
| Smiles: | C1COC(c2c3c(cc(cc3on2)[N+]([O-])=O)Sc2ccccc2)O1 |
| Stereo: | ACHIRAL |
| logP: | 3.6899 |
| logD: | 3.6899 |
| logSw: | -4.2254 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 72.329 |
| InChI Key: | OKWIPEZQHPJKBO-UHFFFAOYSA-N |