9-[(3,5-difluorophenyl)methyl]-6,7-dimethyl-2,3,9,10a-tetrahydrobenzo[b]cyclopenta[e][1,4]diazepin-10(1H)-one
Chemical Structure Depiction of
9-[(3,5-difluorophenyl)methyl]-6,7-dimethyl-2,3,9,10a-tetrahydrobenzo[b]cyclopenta[e][1,4]diazepin-10(1H)-one
9-[(3,5-difluorophenyl)methyl]-6,7-dimethyl-2,3,9,10a-tetrahydrobenzo[b]cyclopenta[e][1,4]diazepin-10(1H)-one
Compound characteristics
| Compound ID: | F403-0313 |
| Compound Name: | 9-[(3,5-difluorophenyl)methyl]-6,7-dimethyl-2,3,9,10a-tetrahydrobenzo[b]cyclopenta[e][1,4]diazepin-10(1H)-one |
| Molecular Weight: | 354.4 |
| Molecular Formula: | C21 H20 F2 N2 O |
| Smiles: | Cc1cc2c(cc1C)N(Cc1cc(cc(c1)F)F)C(C1CCCC1=N2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7839 |
| logD: | 4.7839 |
| logSw: | -4.5023 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 24.3635 |
| InChI Key: | MQYJTZIEOKJSCE-KRWDZBQOSA-N |