4-[(2-{methyl[(pyridin-3-yl)methyl]amino}-4-oxo-3,4,5,6,8,9-hexahydro-7H-pyrimido[4,5-d]azepin-7-yl)methyl]benzonitrile
Chemical Structure Depiction of
4-[(2-{methyl[(pyridin-3-yl)methyl]amino}-4-oxo-3,4,5,6,8,9-hexahydro-7H-pyrimido[4,5-d]azepin-7-yl)methyl]benzonitrile
4-[(2-{methyl[(pyridin-3-yl)methyl]amino}-4-oxo-3,4,5,6,8,9-hexahydro-7H-pyrimido[4,5-d]azepin-7-yl)methyl]benzonitrile
Compound characteristics
| Compound ID: | S039-4112 |
| Compound Name: | 4-[(2-{methyl[(pyridin-3-yl)methyl]amino}-4-oxo-3,4,5,6,8,9-hexahydro-7H-pyrimido[4,5-d]azepin-7-yl)methyl]benzonitrile |
| Molecular Weight: | 400.48 |
| Molecular Formula: | C23 H24 N6 O |
| Smiles: | CN(Cc1cccnc1)C1NC(C2CCN(CCC=2N=1)Cc1ccc(C#N)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.5328 |
| logD: | 1.3011 |
| logSw: | -1.5922 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.875 |
| InChI Key: | WOWXIBCOBDPJEX-UHFFFAOYSA-N |