2-[5-oxo-2-(pyridin-4-yl)-5,7,8,9-tetrahydro-6H-pyrimido[5,4-c]azepin-6-yl]-N-[(pyridin-2-yl)methyl]acetamide
Chemical Structure Depiction of
2-[5-oxo-2-(pyridin-4-yl)-5,7,8,9-tetrahydro-6H-pyrimido[5,4-c]azepin-6-yl]-N-[(pyridin-2-yl)methyl]acetamide
2-[5-oxo-2-(pyridin-4-yl)-5,7,8,9-tetrahydro-6H-pyrimido[5,4-c]azepin-6-yl]-N-[(pyridin-2-yl)methyl]acetamide
Compound characteristics
| Compound ID: | S529-0667 |
| Compound Name: | 2-[5-oxo-2-(pyridin-4-yl)-5,7,8,9-tetrahydro-6H-pyrimido[5,4-c]azepin-6-yl]-N-[(pyridin-2-yl)methyl]acetamide |
| Molecular Weight: | 388.43 |
| Molecular Formula: | C21 H20 N6 O2 |
| Smiles: | C1Cc2c(cnc(c3ccncc3)n2)C(N(C1)CC(NCc1ccccn1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.6767 |
| logD: | 0.6758 |
| logSw: | -1.6136 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.681 |
| InChI Key: | LTPNMPJOPSBFQX-UHFFFAOYSA-N |