3-{[2-(morpholin-4-yl)-4-oxo-3,4,5,6,8,9-hexahydro-7H-pyrimido[4,5-d]azepin-7-yl]methyl}benzonitrile
Chemical Structure Depiction of
3-{[2-(morpholin-4-yl)-4-oxo-3,4,5,6,8,9-hexahydro-7H-pyrimido[4,5-d]azepin-7-yl]methyl}benzonitrile
3-{[2-(morpholin-4-yl)-4-oxo-3,4,5,6,8,9-hexahydro-7H-pyrimido[4,5-d]azepin-7-yl]methyl}benzonitrile
Compound characteristics
| Compound ID: | S039-1859 |
| Compound Name: | 3-{[2-(morpholin-4-yl)-4-oxo-3,4,5,6,8,9-hexahydro-7H-pyrimido[4,5-d]azepin-7-yl]methyl}benzonitrile |
| Molecular Weight: | 365.43 |
| Molecular Formula: | C20 H23 N5 O2 |
| Smiles: | C1CN(CCC2=C1C(NC(=N2)N1CCOCC1)=O)Cc1cccc(C#N)c1 |
| Stereo: | ACHIRAL |
| logP: | 0.9355 |
| logD: | 0.8848 |
| logSw: | -2.1175 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.764 |
| InChI Key: | ISWFLKUNFUAFHD-UHFFFAOYSA-N |