11-[4-(dimethylamino)phenyl]-3,3-dimethyl-10-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)-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-oxo-1,3-dihydro-2-benzofuran-1-yl)-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-oxo-1,3-dihydro-2-benzofuran-1-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Compound characteristics
| Compound ID: | 5742-0512 |
| Compound Name: | 11-[4-(dimethylamino)phenyl]-3,3-dimethyl-10-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one |
| Molecular Weight: | 493.61 |
| Molecular Formula: | C31 H31 N3 O3 |
| Smiles: | CC1(C)CC2=C(C(c3ccc(cc3)N(C)C)N(C3c4ccccc4C(=O)O3)c3ccccc3N2)C(C1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.5145 |
| logD: | 5.4743 |
| logSw: | -5.5509 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.136 |
| InChI Key: | XAASOXOJJGCMOH-UHFFFAOYSA-N |