6-[2-(4-ethylpiperazin-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-ethylpiperazin-1-yl)-2-oxoethyl]-2-phenyl-6,7,8,9-tetrahydro-5H-pyrimido[5,4-c]azepin-5-one
6-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-2-phenyl-6,7,8,9-tetrahydro-5H-pyrimido[5,4-c]azepin-5-one
Compound characteristics
| Compound ID: | S529-0575 |
| Compound Name: | 6-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-2-phenyl-6,7,8,9-tetrahydro-5H-pyrimido[5,4-c]azepin-5-one |
| Molecular Weight: | 393.49 |
| Molecular Formula: | C22 H27 N5 O2 |
| Smiles: | CCN1CCN(CC1)C(CN1CCCc2c(cnc(c3ccccc3)n2)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.2649 |
| logD: | 1.0887 |
| logSw: | -2.1419 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 57.168 |
| InChI Key: | IICYRABUZPZVKC-UHFFFAOYSA-N |