methyl {[3-(1,3-dioxolan-2-yl)-6-nitro-1,2-benzoxazol-4-yl]sulfanyl}acetate
Chemical Structure Depiction of
methyl {[3-(1,3-dioxolan-2-yl)-6-nitro-1,2-benzoxazol-4-yl]sulfanyl}acetate
methyl {[3-(1,3-dioxolan-2-yl)-6-nitro-1,2-benzoxazol-4-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | 8012-5619 |
| Compound Name: | methyl {[3-(1,3-dioxolan-2-yl)-6-nitro-1,2-benzoxazol-4-yl]sulfanyl}acetate |
| Molecular Weight: | 340.31 |
| Molecular Formula: | C13 H12 N2 O7 S |
| Smiles: | COC(CSc1cc(cc2c1c(C1OCCO1)no2)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7033 |
| logD: | 1.7033 |
| logSw: | -2.1221 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 93.18 |
| InChI Key: | DVXWWOQQDRJCAN-UHFFFAOYSA-N |