9-{2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-6,7-dimethyl-2,3,9,10a-tetrahydrobenzo[b]cyclopenta[e][1,4]diazepin-10(1H)-one
Chemical Structure Depiction of
9-{2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-6,7-dimethyl-2,3,9,10a-tetrahydrobenzo[b]cyclopenta[e][1,4]diazepin-10(1H)-one
9-{2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-6,7-dimethyl-2,3,9,10a-tetrahydrobenzo[b]cyclopenta[e][1,4]diazepin-10(1H)-one
Compound characteristics
| Compound ID: | F403-0500 |
| Compound Name: | 9-{2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-6,7-dimethyl-2,3,9,10a-tetrahydrobenzo[b]cyclopenta[e][1,4]diazepin-10(1H)-one |
| Molecular Weight: | 448.54 |
| Molecular Formula: | C26 H29 F N4 O2 |
| Smiles: | Cc1cc2c(cc1C)N(CC(N1CCN(CC1)c1ccccc1F)=O)C(C1CCCC1=N2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5192 |
| logD: | 3.5192 |
| logSw: | -3.7917 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 43.715 |
| InChI Key: | RDRPGMWHMZHSRB-IBGZPJMESA-N |