4-{[4-(2-fluorophenyl)piperazin-1-yl]acetyl}-9-(pentyloxy)-1,2,3,4-tetrahydro-5H-[1]benzopyrano[3,4-b]pyridin-5-one
Chemical Structure Depiction of
4-{[4-(2-fluorophenyl)piperazin-1-yl]acetyl}-9-(pentyloxy)-1,2,3,4-tetrahydro-5H-[1]benzopyrano[3,4-b]pyridin-5-one
4-{[4-(2-fluorophenyl)piperazin-1-yl]acetyl}-9-(pentyloxy)-1,2,3,4-tetrahydro-5H-[1]benzopyrano[3,4-b]pyridin-5-one
Compound characteristics
| Compound ID: | C285-0126 |
| Compound Name: | 4-{[4-(2-fluorophenyl)piperazin-1-yl]acetyl}-9-(pentyloxy)-1,2,3,4-tetrahydro-5H-[1]benzopyrano[3,4-b]pyridin-5-one |
| Molecular Weight: | 507.61 |
| Molecular Formula: | C29 H34 F N3 O4 |
| Smiles: | CCCCCOc1ccc2c(c1)C1CCCN(C=1C(=O)O2)C(CN1CCN(CC1)c1ccccc1F)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1092 |
| logD: | 5.1075 |
| logSw: | -4.8793 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 50.561 |
| InChI Key: | IFMAVLHXVVKYAC-UHFFFAOYSA-N |