11-(3,4-dihydroxyphenyl)-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Chemical Structure Depiction of
11-(3,4-dihydroxyphenyl)-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
11-(3,4-dihydroxyphenyl)-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Compound characteristics
| Compound ID: | 6364-0044 |
| Compound Name: | 11-(3,4-dihydroxyphenyl)-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one |
| Molecular Weight: | 350.42 |
| Molecular Formula: | C21 H22 N2 O3 |
| Smiles: | CC1(C)CC2=C(C(c3ccc(c(c3)O)O)Nc3ccccc3N2)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1323 |
| logD: | 3.1058 |
| logSw: | -3.2261 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 69.844 |
| InChI Key: | HQKDNVVUEHTPCB-FQEVSTJZSA-N |