11-(4-hydroxy-3-methoxy-5-nitrophenyl)-3,3-dimethyl-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-dimethyl-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-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Compound characteristics
| Compound ID: | 3393-0140 |
| Compound Name: | 11-(4-hydroxy-3-methoxy-5-nitrophenyl)-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one |
| Molecular Weight: | 445.9 |
| Molecular Formula: | C22 H23 N3 O5 |
| Salt: | HCl |
| Smiles: | CC1(C)CC2=C(C(c3cc(c(c(c3)OC)O)[N+]([O-])=O)Nc3ccccc3N2)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6996 |
| logD: | 2.8866 |
| logSw: | -4.1021 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 92.938 |
| InChI Key: | UHCONLRSHXQHRS-FQEVSTJZSA-N |