2-cyclopropyl-6-[2-oxo-2-(4-phenyl-3,6-dihydropyridin-1(2H)-yl)ethyl]-6,7,8,9-tetrahydro-5H-pyrimido[5,4-c]azepin-5-one
Chemical Structure Depiction of
2-cyclopropyl-6-[2-oxo-2-(4-phenyl-3,6-dihydropyridin-1(2H)-yl)ethyl]-6,7,8,9-tetrahydro-5H-pyrimido[5,4-c]azepin-5-one
2-cyclopropyl-6-[2-oxo-2-(4-phenyl-3,6-dihydropyridin-1(2H)-yl)ethyl]-6,7,8,9-tetrahydro-5H-pyrimido[5,4-c]azepin-5-one
Compound characteristics
| Compound ID: | S529-0348 |
| Compound Name: | 2-cyclopropyl-6-[2-oxo-2-(4-phenyl-3,6-dihydropyridin-1(2H)-yl)ethyl]-6,7,8,9-tetrahydro-5H-pyrimido[5,4-c]azepin-5-one |
| Molecular Weight: | 402.5 |
| Molecular Formula: | C24 H26 N4 O2 |
| Smiles: | C1Cc2c(cnc(C3CC3)n2)C(N(C1)CC(N1CCC(=CC1)c1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6568 |
| logD: | 2.6567 |
| logSw: | -2.9338 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 53.883 |
| InChI Key: | FYROSTWVIUSLCT-UHFFFAOYSA-N |