11-[4-(dimethylamino)phenyl]-3,3-dimethyl-10-(3,4,5-trimethoxybenzoyl)-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-(3,4,5-trimethoxybenzoyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
11-[4-(dimethylamino)phenyl]-3,3-dimethyl-10-(3,4,5-trimethoxybenzoyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Compound characteristics
| Compound ID: | 3966-4574 |
| Compound Name: | 11-[4-(dimethylamino)phenyl]-3,3-dimethyl-10-(3,4,5-trimethoxybenzoyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one |
| Molecular Weight: | 555.67 |
| Molecular Formula: | C33 H37 N3 O5 |
| Smiles: | CC1(C)CC2=C(C(c3ccc(cc3)N(C)C)N(C(c3cc(c(c(c3)OC)OC)OC)=O)c3ccccc3N2)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.2802 |
| logD: | 5.2386 |
| logSw: | -5.1752 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.947 |
| InChI Key: | QMKIHUCOMSISGT-PMERELPUSA-N |