methyl 4-(10-benzoyl-3,3-dimethyl-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl)benzoate
Chemical Structure Depiction of
methyl 4-(10-benzoyl-3,3-dimethyl-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl)benzoate
methyl 4-(10-benzoyl-3,3-dimethyl-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl)benzoate
Compound characteristics
| Compound ID: | 5236-0384 |
| Compound Name: | methyl 4-(10-benzoyl-3,3-dimethyl-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl)benzoate |
| Molecular Weight: | 480.56 |
| Molecular Formula: | C30 H28 N2 O4 |
| Smiles: | CC1(C)CC2=C(C(c3ccc(cc3)C(=O)OC)N(C(c3ccccc3)=O)c3ccccc3N2)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.4608 |
| logD: | 5.4335 |
| logSw: | -5.6136 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.339 |
| InChI Key: | HMLHXJUPWMTLFN-MHZLTWQESA-N |