3-nitro-N-(1,3-thiazol-2-yl)dibenzo[b,f]oxepine-1-carboxamide
Chemical Structure Depiction of
3-nitro-N-(1,3-thiazol-2-yl)dibenzo[b,f]oxepine-1-carboxamide
3-nitro-N-(1,3-thiazol-2-yl)dibenzo[b,f]oxepine-1-carboxamide
Compound characteristics
| Compound ID: | 8017-1208 |
| Compound Name: | 3-nitro-N-(1,3-thiazol-2-yl)dibenzo[b,f]oxepine-1-carboxamide |
| Molecular Weight: | 365.37 |
| Molecular Formula: | C18 H11 N3 O4 S |
| Smiles: | C1=Cc2c(cc(cc2Oc2ccccc12)[N+]([O-])=O)C(Nc1nccs1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1114 |
| logD: | 3.8578 |
| logSw: | -4.5741 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.334 |
| InChI Key: | QJSXLFKVFQMYSH-UHFFFAOYSA-N |