4-{[(4-chlorophenyl)methyl]sulfanyl}-3-(1,3-dioxolan-2-yl)-6-nitro-1,2-benzoxazole
Chemical Structure Depiction of
4-{[(4-chlorophenyl)methyl]sulfanyl}-3-(1,3-dioxolan-2-yl)-6-nitro-1,2-benzoxazole
4-{[(4-chlorophenyl)methyl]sulfanyl}-3-(1,3-dioxolan-2-yl)-6-nitro-1,2-benzoxazole
Compound characteristics
| Compound ID: | 8012-5622 |
| Compound Name: | 4-{[(4-chlorophenyl)methyl]sulfanyl}-3-(1,3-dioxolan-2-yl)-6-nitro-1,2-benzoxazole |
| Molecular Weight: | 392.82 |
| Molecular Formula: | C17 H13 Cl N2 O5 S |
| Smiles: | C1COC(c2c3c(cc(cc3on2)[N+]([O-])=O)SCc2ccc(cc2)[Cl])O1 |
| Stereo: | ACHIRAL |
| logP: | 4.0025 |
| logD: | 4.0025 |
| logSw: | -4.5856 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 72.329 |
| InChI Key: | VGEPFPAAQXLWJI-UHFFFAOYSA-N |