9-{2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}-2,3,9,10a-tetrahydrobenzo[b]cyclopenta[e][1,4]diazepin-10(1H)-one
Chemical Structure Depiction of
9-{2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}-2,3,9,10a-tetrahydrobenzo[b]cyclopenta[e][1,4]diazepin-10(1H)-one
9-{2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}-2,3,9,10a-tetrahydrobenzo[b]cyclopenta[e][1,4]diazepin-10(1H)-one
Compound characteristics
| Compound ID: | F403-0454 |
| Compound Name: | 9-{2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}-2,3,9,10a-tetrahydrobenzo[b]cyclopenta[e][1,4]diazepin-10(1H)-one |
| Molecular Weight: | 432.52 |
| Molecular Formula: | C25 H28 N4 O3 |
| Smiles: | COc1ccc(cc1)N1CCN(CC1)C(CN1C(C2CCCC2=Nc2ccccc12)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.5071 |
| logD: | 2.5066 |
| logSw: | -2.5461 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 51.56 |
| InChI Key: | XZZAJHJSVXEHSQ-FQEVSTJZSA-N |