3-[5-(3,3-dimethyl-1-oxo-10-propanoyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl)furan-2-yl]benzoic acid
Chemical Structure Depiction of
3-[5-(3,3-dimethyl-1-oxo-10-propanoyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl)furan-2-yl]benzoic acid
3-[5-(3,3-dimethyl-1-oxo-10-propanoyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl)furan-2-yl]benzoic acid
Compound characteristics
| Compound ID: | 6049-1789 |
| Compound Name: | 3-[5-(3,3-dimethyl-1-oxo-10-propanoyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl)furan-2-yl]benzoic acid |
| Molecular Weight: | 484.55 |
| Molecular Formula: | C29 H28 N2 O5 |
| Smiles: | CCC(N1C(C2=C(CC(C)(C)CC2=O)Nc2ccccc12)c1ccc(c2cccc(c2)C(O)=O)o1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.5659 |
| logD: | 2.0532 |
| logSw: | -5.2656 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.716 |
| InChI Key: | HSLLPSOCYMZCNM-MHZLTWQESA-N |