10-butyl-1-methoxy-3-nitrodibenzo[b,f][1,4]oxazepin-11(10H)-one
Chemical Structure Depiction of
10-butyl-1-methoxy-3-nitrodibenzo[b,f][1,4]oxazepin-11(10H)-one
10-butyl-1-methoxy-3-nitrodibenzo[b,f][1,4]oxazepin-11(10H)-one
Compound characteristics
| Compound ID: | 8013-0299 |
| Compound Name: | 10-butyl-1-methoxy-3-nitrodibenzo[b,f][1,4]oxazepin-11(10H)-one |
| Molecular Weight: | 342.35 |
| Molecular Formula: | C18 H18 N2 O5 |
| Smiles: | CCCCN1C(c2c(cc(cc2Oc2ccccc12)[N+]([O-])=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9747 |
| logD: | 3.9747 |
| logSw: | -4.1944 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 63.827 |
| InChI Key: | YPMJZBSEFSVXFF-UHFFFAOYSA-N |