11-(3-chlorophenyl)-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one--oxalic acid (1/1)
Chemical Structure Depiction of
11-(3-chlorophenyl)-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one--oxalic acid (1/1)
11-(3-chlorophenyl)-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one--oxalic acid (1/1)
Compound characteristics
| Compound ID: | 3393-0131 |
| Compound Name: | 11-(3-chlorophenyl)-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one--oxalic acid (1/1) |
| Molecular Weight: | 442.9 |
| Molecular Formula: | C21 H21 Cl N2 O |
| Salt: | HOOCCOOH |
| Smiles: | CC1(C)CC2=C(C(c3cccc(c3)[Cl])Nc3ccccc3N2)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7817 |
| logD: | 4.7712 |
| logSw: | -4.8558 |
| Hydrogen bond acceptors count: | 2 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 36.748 |
| InChI Key: | BMOALXSFLKYPSQ-FQEVSTJZSA-N |