9-{2-[4-(4-methoxyphenyl)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-(4-methoxyphenyl)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-(4-methoxyphenyl)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: | F403-0499 |
| Compound Name: | 9-{2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}-6,7-dimethyl-2,3,9,10a-tetrahydrobenzo[b]cyclopenta[e][1,4]diazepin-10(1H)-one |
| Molecular Weight: | 460.58 |
| Molecular Formula: | C27 H32 N4 O3 |
| Smiles: | Cc1cc2c(cc1C)N(CC(N1CCN(CC1)c1ccc(cc1)OC)=O)C(C1CCCC1=N2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4446 |
| logD: | 3.4441 |
| logSw: | -3.7469 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 51.56 |
| InChI Key: | SPHJGPVYTTZQLD-QFIPXVFZSA-N |