9-propoxy-4-{[4-(pyrimidin-2-yl)piperazin-1-yl]acetyl}-1,2,3,4-tetrahydro-5H-[1]benzopyrano[3,4-b]pyridin-5-one
Chemical Structure Depiction of
9-propoxy-4-{[4-(pyrimidin-2-yl)piperazin-1-yl]acetyl}-1,2,3,4-tetrahydro-5H-[1]benzopyrano[3,4-b]pyridin-5-one
9-propoxy-4-{[4-(pyrimidin-2-yl)piperazin-1-yl]acetyl}-1,2,3,4-tetrahydro-5H-[1]benzopyrano[3,4-b]pyridin-5-one
Compound characteristics
| Compound ID: | C285-0121 |
| Compound Name: | 9-propoxy-4-{[4-(pyrimidin-2-yl)piperazin-1-yl]acetyl}-1,2,3,4-tetrahydro-5H-[1]benzopyrano[3,4-b]pyridin-5-one |
| Molecular Weight: | 463.54 |
| Molecular Formula: | C25 H29 N5 O4 |
| Smiles: | CCCOc1ccc2c(c1)C1CCCN(C=1C(=O)O2)C(CN1CCN(CC1)c1ncccn1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0722 |
| logD: | 3.0705 |
| logSw: | -3.281 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 69.224 |
| InChI Key: | APQHEJHSPOAICT-UHFFFAOYSA-N |