2-{1-[11-(2,4-dimethoxyphenyl)-3,3-dimethyl-1-oxo-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]ethylidene}-1H-indene-1,3(2H)-dione
Chemical Structure Depiction of
2-{1-[11-(2,4-dimethoxyphenyl)-3,3-dimethyl-1-oxo-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]ethylidene}-1H-indene-1,3(2H)-dione
2-{1-[11-(2,4-dimethoxyphenyl)-3,3-dimethyl-1-oxo-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]ethylidene}-1H-indene-1,3(2H)-dione
Compound characteristics
| Compound ID: | Y500-0227 |
| Compound Name: | 2-{1-[11-(2,4-dimethoxyphenyl)-3,3-dimethyl-1-oxo-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]ethylidene}-1H-indene-1,3(2H)-dione |
| Molecular Weight: | 548.64 |
| Molecular Formula: | C34 H32 N2 O5 |
| Smiles: | CC(=C1C(c2ccccc2C1=O)=O)N1C(C2=C(CC(C)(C)CC2=O)Nc2ccccc12)c1ccc(cc1OC)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.9781 |
| logD: | 5.9031 |
| logSw: | -5.5593 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.28 |
| InChI Key: | DEKUMLRAIHHSIT-HKBQPEDESA-N |