6-[2-(4-methylpiperazin-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-(4-methylpiperazin-1-yl)-2-oxoethyl]-2-phenyl-6,7,8,9-tetrahydro-5H-pyrimido[5,4-c]azepin-5-one
6-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-2-phenyl-6,7,8,9-tetrahydro-5H-pyrimido[5,4-c]azepin-5-one
Compound characteristics
| Compound ID: | S529-0537 |
| Compound Name: | 6-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-2-phenyl-6,7,8,9-tetrahydro-5H-pyrimido[5,4-c]azepin-5-one |
| Molecular Weight: | 379.46 |
| Molecular Formula: | C21 H25 N5 O2 |
| Smiles: | CN1CCN(CC1)C(CN1CCCc2c(cnc(c3ccccc3)n2)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.9202 |
| logD: | 0.7895 |
| logSw: | -1.958 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 57.108 |
| InChI Key: | JCWHLVZUPBQZQC-UHFFFAOYSA-N |