11-(4-hydroxy-3-methoxy-5-nitrophenyl)-3-(3,4,5-trimethoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Chemical Structure Depiction of
11-(4-hydroxy-3-methoxy-5-nitrophenyl)-3-(3,4,5-trimethoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
11-(4-hydroxy-3-methoxy-5-nitrophenyl)-3-(3,4,5-trimethoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Compound characteristics
| Compound ID: | 8014-5334 |
| Compound Name: | 11-(4-hydroxy-3-methoxy-5-nitrophenyl)-3-(3,4,5-trimethoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one |
| Molecular Weight: | 547.56 |
| Molecular Formula: | C29 H29 N3 O8 |
| Smiles: | COc1cc(cc(c1O)[N+]([O-])=O)C1C2=C(CC(CC2=O)c2cc(c(c(c2)OC)OC)OC)Nc2ccccc2N1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.4353 |
| logD: | 3.6222 |
| logSw: | -4.3406 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 115.645 |
| InChI Key: | DJYXDWKMHGDAOI-UHFFFAOYSA-N |