4-[(4-chlorophenyl)sulfanyl]-3-(1,3-dioxolan-2-yl)-6-nitro-1,2-benzoxazole
Chemical Structure Depiction of
4-[(4-chlorophenyl)sulfanyl]-3-(1,3-dioxolan-2-yl)-6-nitro-1,2-benzoxazole
4-[(4-chlorophenyl)sulfanyl]-3-(1,3-dioxolan-2-yl)-6-nitro-1,2-benzoxazole
Compound characteristics
| Compound ID: | 8012-5623 |
| Compound Name: | 4-[(4-chlorophenyl)sulfanyl]-3-(1,3-dioxolan-2-yl)-6-nitro-1,2-benzoxazole |
| Molecular Weight: | 378.79 |
| Molecular Formula: | C16 H11 Cl N2 O5 S |
| Smiles: | C1COC(c2c3c(cc(cc3on2)[N+]([O-])=O)Sc2ccc(cc2)[Cl])O1 |
| Stereo: | ACHIRAL |
| logP: | 4.4697 |
| logD: | 4.4697 |
| logSw: | -4.8018 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 72.329 |
| InChI Key: | SOWZFFWDDFMNRD-UHFFFAOYSA-N |