10-butyl-1-(3-methylphenoxy)-3-nitrodibenzo[b,f][1,4]oxazepin-11(10H)-one
Chemical Structure Depiction of
10-butyl-1-(3-methylphenoxy)-3-nitrodibenzo[b,f][1,4]oxazepin-11(10H)-one
10-butyl-1-(3-methylphenoxy)-3-nitrodibenzo[b,f][1,4]oxazepin-11(10H)-one
Compound characteristics
| Compound ID: | 8012-8645 |
| Compound Name: | 10-butyl-1-(3-methylphenoxy)-3-nitrodibenzo[b,f][1,4]oxazepin-11(10H)-one |
| Molecular Weight: | 418.45 |
| Molecular Formula: | C24 H22 N2 O5 |
| Smiles: | CCCCN1C(c2c(cc(cc2Oc2ccccc12)[N+]([O-])=O)Oc1cccc(C)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.202 |
| logD: | 6.202 |
| logSw: | -5.4897 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 63.031 |
| InChI Key: | CVWRWTAGJMIGDG-UHFFFAOYSA-N |