3,3-dimethyl-11-(4-nitrophenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one--hydrogen chloride (1/1)
Chemical Structure Depiction of
3,3-dimethyl-11-(4-nitrophenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one--hydrogen chloride (1/1)
3,3-dimethyl-11-(4-nitrophenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | 3393-0113 |
| Compound Name: | 3,3-dimethyl-11-(4-nitrophenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one--hydrogen chloride (1/1) |
| Molecular Weight: | 399.88 |
| Molecular Formula: | C21 H21 N3 O3 |
| Salt: | HCl |
| Smiles: | CC1(C)CC2=C(C(c3ccc(cc3)[N+]([O-])=O)Nc3ccccc3N2)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0058 |
| logD: | 3.9953 |
| logSw: | -4.2393 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.13 |
| InChI Key: | UGGUUWQHYLAINX-FQEVSTJZSA-N |