4-{[4-(5-methyl-1,2,4-oxadiazol-3-yl)-1,3-dioxo-3,5,6,7,8,9-hexahydropyrimido[1,6-a]azepin-2(1H)-yl]methyl}benzonitrile
Chemical Structure Depiction of
4-{[4-(5-methyl-1,2,4-oxadiazol-3-yl)-1,3-dioxo-3,5,6,7,8,9-hexahydropyrimido[1,6-a]azepin-2(1H)-yl]methyl}benzonitrile
4-{[4-(5-methyl-1,2,4-oxadiazol-3-yl)-1,3-dioxo-3,5,6,7,8,9-hexahydropyrimido[1,6-a]azepin-2(1H)-yl]methyl}benzonitrile
Compound characteristics
| Compound ID: | S376-3189 |
| Compound Name: | 4-{[4-(5-methyl-1,2,4-oxadiazol-3-yl)-1,3-dioxo-3,5,6,7,8,9-hexahydropyrimido[1,6-a]azepin-2(1H)-yl]methyl}benzonitrile |
| Molecular Weight: | 377.4 |
| Molecular Formula: | C20 H19 N5 O3 |
| Smiles: | Cc1nc(C2=C3CCCCCN3C(N(Cc3ccc(C#N)cc3)C2=O)=O)no1 |
| Stereo: | ACHIRAL |
| logP: | 2.6176 |
| logD: | 2.6176 |
| logSw: | -2.7764 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 80.94 |
| InChI Key: | OJBXDESYKGAWCO-UHFFFAOYSA-N |