11-[4-(dimethylamino)phenyl]-3,3-dimethyl-10-(3-methylbutanoyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Chemical Structure Depiction of
11-[4-(dimethylamino)phenyl]-3,3-dimethyl-10-(3-methylbutanoyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
11-[4-(dimethylamino)phenyl]-3,3-dimethyl-10-(3-methylbutanoyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Compound characteristics
| Compound ID: | 3046-8710 |
| Compound Name: | 11-[4-(dimethylamino)phenyl]-3,3-dimethyl-10-(3-methylbutanoyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one |
| Molecular Weight: | 445.61 |
| Molecular Formula: | C28 H35 N3 O2 |
| Smiles: | CC(C)CC(N1C(C2=C(CC(C)(C)CC2=O)Nc2ccccc12)c1ccc(cc1)N(C)C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.468 |
| logD: | 5.2238 |
| logSw: | -5.4683 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.714 |
| InChI Key: | KBIPPHDYJJXYAY-MHZLTWQESA-N |