10-butyl-3-nitro-1-[4-(3-oxobutyl)phenoxy]dibenzo[b,f][1,4]oxazepin-11(10H)-one
Chemical Structure Depiction of
10-butyl-3-nitro-1-[4-(3-oxobutyl)phenoxy]dibenzo[b,f][1,4]oxazepin-11(10H)-one
10-butyl-3-nitro-1-[4-(3-oxobutyl)phenoxy]dibenzo[b,f][1,4]oxazepin-11(10H)-one
Compound characteristics
| Compound ID: | 8012-9470 |
| Compound Name: | 10-butyl-3-nitro-1-[4-(3-oxobutyl)phenoxy]dibenzo[b,f][1,4]oxazepin-11(10H)-one |
| Molecular Weight: | 474.51 |
| Molecular Formula: | C27 H26 N2 O6 |
| Smiles: | CCCCN1C(c2c(cc(cc2Oc2ccccc12)[N+]([O-])=O)Oc1ccc(CCC(C)=O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.6589 |
| logD: | 5.6589 |
| logSw: | -5.3369 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 76.366 |
| InChI Key: | MDIYGYHOZSCAAW-UHFFFAOYSA-N |