10-(cyclopropanecarbonyl)-11-[4-(dimethylamino)phenyl]-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Chemical Structure Depiction of
10-(cyclopropanecarbonyl)-11-[4-(dimethylamino)phenyl]-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
10-(cyclopropanecarbonyl)-11-[4-(dimethylamino)phenyl]-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Compound characteristics
Compound ID: | Y010-1784 |
Compound Name: | 10-(cyclopropanecarbonyl)-11-[4-(dimethylamino)phenyl]-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one |
Molecular Weight: | 429.56 |
Molecular Formula: | C27 H31 N3 O2 |
Smiles: | CC1(C)CC2=C(C(c3ccc(cc3)N(C)C)N(C(C3CC3)=O)c3ccccc3N2)C(C1)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 4.8465 |
logD: | 4.6023 |
logSw: | -4.5619 |
Hydrogen bond acceptors count: | 4 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 42.493 |
InChI Key: | LJFKTOGWRXCVAM-VWLOTQADSA-N |