2-[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]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
Chemical Structure Depiction of
2-[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]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
2-[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]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
Compound characteristics
| Compound ID: | S376-3133 |
| Compound Name: | 2-[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]-N-(5-methyl-1,2-oxazol-3-yl)acetamide |
| Molecular Weight: | 400.39 |
| Molecular Formula: | C18 H20 N6 O5 |
| Smiles: | Cc1cc(NC(CN2C(C(=C3CCCCCN3C2=O)c2nc(C)on2)=O)=O)no1 |
| Stereo: | ACHIRAL |
| logP: | 1.7434 |
| logD: | 1.7358 |
| logSw: | -2.3556 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 108.829 |
| InChI Key: | PHMHATVZRKRQSF-UHFFFAOYSA-N |