6,8-dimethyl-3-nitro-5lambda~6~-dibenzo[b,f][1,4,5]oxathiazepine-5,5(6H)-dione
Chemical Structure Depiction of
6,8-dimethyl-3-nitro-5lambda~6~-dibenzo[b,f][1,4,5]oxathiazepine-5,5(6H)-dione
6,8-dimethyl-3-nitro-5lambda~6~-dibenzo[b,f][1,4,5]oxathiazepine-5,5(6H)-dione
Compound characteristics
| Compound ID: | 8019-9277 |
| Compound Name: | 6,8-dimethyl-3-nitro-5lambda~6~-dibenzo[b,f][1,4,5]oxathiazepine-5,5(6H)-dione |
| Molecular Weight: | 320.32 |
| Molecular Formula: | C14 H12 N2 O5 S |
| Smiles: | Cc1ccc2c(c1)N(C)S(c1cc(ccc1O2)[N+]([O-])=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3324 |
| logD: | 3.3324 |
| logSw: | -3.8822 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 72.916 |
| InChI Key: | RKBNZFMSXHTHIY-UHFFFAOYSA-N |