6-{2-oxo-2-[4-(pyridin-2-yl)piperazin-1-yl]ethyl}-2-(pyridin-4-yl)-6,7,8,9-tetrahydro-5H-pyrimido[5,4-c]azepin-5-one
Chemical Structure Depiction of
6-{2-oxo-2-[4-(pyridin-2-yl)piperazin-1-yl]ethyl}-2-(pyridin-4-yl)-6,7,8,9-tetrahydro-5H-pyrimido[5,4-c]azepin-5-one
6-{2-oxo-2-[4-(pyridin-2-yl)piperazin-1-yl]ethyl}-2-(pyridin-4-yl)-6,7,8,9-tetrahydro-5H-pyrimido[5,4-c]azepin-5-one
Compound characteristics
| Compound ID: | S529-0653 |
| Compound Name: | 6-{2-oxo-2-[4-(pyridin-2-yl)piperazin-1-yl]ethyl}-2-(pyridin-4-yl)-6,7,8,9-tetrahydro-5H-pyrimido[5,4-c]azepin-5-one |
| Molecular Weight: | 443.51 |
| Molecular Formula: | C24 H25 N7 O2 |
| Smiles: | C1Cc2c(cnc(c3ccncc3)n2)C(N(C1)CC(N1CCN(CC1)c1ccccn1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.261 |
| logD: | 1.2522 |
| logSw: | -1.6206 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 74.831 |
| InChI Key: | AVUGEDHEYMXMSI-UHFFFAOYSA-N |