N-(8-bromo-3-nitrodibenzo[b,f]oxepin-1-yl)-N-methylacetamide
Chemical Structure Depiction of
N-(8-bromo-3-nitrodibenzo[b,f]oxepin-1-yl)-N-methylacetamide
N-(8-bromo-3-nitrodibenzo[b,f]oxepin-1-yl)-N-methylacetamide
Compound characteristics
| Compound ID: | 8016-6008 |
| Compound Name: | N-(8-bromo-3-nitrodibenzo[b,f]oxepin-1-yl)-N-methylacetamide |
| Molecular Weight: | 389.2 |
| Molecular Formula: | C17 H13 Br N2 O4 |
| Smiles: | CC(N(C)c1cc(cc2c1C=Cc1cc(ccc1O2)[Br])[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7661 |
| logD: | 3.7661 |
| logSw: | -4.18 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 56.572 |
| InChI Key: | XBDDDEPFGBZNEO-UHFFFAOYSA-N |