6-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-2-phenyl-6,7,8,9-tetrahydro-5H-pyrimido[5,4-c]azepin-5-one
Chemical Structure Depiction of
6-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-2-phenyl-6,7,8,9-tetrahydro-5H-pyrimido[5,4-c]azepin-5-one
6-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-2-phenyl-6,7,8,9-tetrahydro-5H-pyrimido[5,4-c]azepin-5-one
Compound characteristics
| Compound ID: | S529-0776 |
| Compound Name: | 6-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-2-phenyl-6,7,8,9-tetrahydro-5H-pyrimido[5,4-c]azepin-5-one |
| Molecular Weight: | 378.47 |
| Molecular Formula: | C22 H26 N4 O2 |
| Smiles: | CC1CCCN(C1)C(CN1CCCc2c(cnc(c3ccccc3)n2)C1=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.4688 |
| logD: | 2.4688 |
| logSw: | -2.7034 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 53.564 |
| InChI Key: | AVYCSYQFUJRQEA-INIZCTEOSA-N |