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-[(4-methylphenyl)methyl]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-[(4-methylphenyl)methyl]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-[(4-methylphenyl)methyl]acetamide
Compound characteristics
| Compound ID: | S376-3151 |
| 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-[(4-methylphenyl)methyl]acetamide |
| Molecular Weight: | 423.47 |
| Molecular Formula: | C22 H25 N5 O4 |
| Smiles: | Cc1ccc(CNC(CN2C(C(=C3CCCCCN3C2=O)c2nc(C)on2)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.3702 |
| logD: | 2.3702 |
| logSw: | -2.834 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.356 |
| InChI Key: | ANLLSCFKMDDBAJ-UHFFFAOYSA-N |