6-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-2-(pyridin-4-yl)-6,7,8,9-tetrahydro-5H-pyrimido[5,4-c]azepin-5-one
Chemical Structure Depiction of
6-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-2-(pyridin-4-yl)-6,7,8,9-tetrahydro-5H-pyrimido[5,4-c]azepin-5-one
6-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-2-(pyridin-4-yl)-6,7,8,9-tetrahydro-5H-pyrimido[5,4-c]azepin-5-one
Compound characteristics
| Compound ID: | S529-0683 |
| Compound Name: | 6-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-2-(pyridin-4-yl)-6,7,8,9-tetrahydro-5H-pyrimido[5,4-c]azepin-5-one |
| Molecular Weight: | 413.48 |
| Molecular Formula: | C24 H23 N5 O2 |
| Smiles: | C1Cc2c(cnc(c3ccncc3)n2)C(N(C1)CC(N1CCc2ccccc2C1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9157 |
| logD: | 1.9155 |
| logSw: | -2.2057 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 62.721 |
| InChI Key: | OAIYBQYFKOAROW-UHFFFAOYSA-N |