N-(3-nitrodibenzo[b,f]oxepin-1-yl)thiophene-2-carboxamide
Chemical Structure Depiction of
N-(3-nitrodibenzo[b,f]oxepin-1-yl)thiophene-2-carboxamide
N-(3-nitrodibenzo[b,f]oxepin-1-yl)thiophene-2-carboxamide
Compound characteristics
| Compound ID: | 8011-8353 |
| Compound Name: | N-(3-nitrodibenzo[b,f]oxepin-1-yl)thiophene-2-carboxamide |
| Molecular Weight: | 364.38 |
| Molecular Formula: | C19 H12 N2 O4 S |
| Smiles: | C1=Cc2c(cc(cc2Oc2ccccc12)[N+]([O-])=O)NC(c1cccs1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7376 |
| logD: | 4.7337 |
| logSw: | -4.9154 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.176 |
| InChI Key: | YKOKLYWFULXSFU-UHFFFAOYSA-N |