6-[2-(4-ethylpiperazin-1-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-(4-ethylpiperazin-1-yl)-2-oxoethyl]-2-(pyridin-4-yl)-6,7,8,9-tetrahydro-5H-pyrimido[5,4-c]azepin-5-one
6-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-2-(pyridin-4-yl)-6,7,8,9-tetrahydro-5H-pyrimido[5,4-c]azepin-5-one
Compound characteristics
| Compound ID: | S529-0689 |
| Compound Name: | 6-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-2-(pyridin-4-yl)-6,7,8,9-tetrahydro-5H-pyrimido[5,4-c]azepin-5-one |
| Molecular Weight: | 394.48 |
| Molecular Formula: | C21 H26 N6 O2 |
| Smiles: | CCN1CCN(CC1)C(CN1CCCc2c(cnc(c3ccncc3)n2)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.1209 |
| logD: | -0.0553 |
| logSw: | -1.3873 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 66.596 |
| InChI Key: | JWZXSAPYHTYUNO-UHFFFAOYSA-N |