11-(3,5-dichloro-2-methoxyphenyl)-3,3-dimethyl-10-(trifluoroacetyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Chemical Structure Depiction of
11-(3,5-dichloro-2-methoxyphenyl)-3,3-dimethyl-10-(trifluoroacetyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
11-(3,5-dichloro-2-methoxyphenyl)-3,3-dimethyl-10-(trifluoroacetyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Compound characteristics
| Compound ID: | 3046-8764 |
| Compound Name: | 11-(3,5-dichloro-2-methoxyphenyl)-3,3-dimethyl-10-(trifluoroacetyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one |
| Molecular Weight: | 513.34 |
| Molecular Formula: | C24 H21 Cl2 F3 N2 O3 |
| Smiles: | CC1(C)CC2=C(C(c3cc(cc(c3OC)[Cl])[Cl])N(C(C(F)(F)F)=O)c3ccccc3N2)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.0691 |
| logD: | 5.8393 |
| logSw: | -6.0999 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.153 |
| InChI Key: | NFJAMNVPNSXCQS-FQEVSTJZSA-N |