N-(2H-1,3-benzodioxol-5-yl)-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]acetamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-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]acetamide
N-(2H-1,3-benzodioxol-5-yl)-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]acetamide
Compound characteristics
| Compound ID: | S376-3217 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-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]acetamide |
| Molecular Weight: | 439.43 |
| Molecular Formula: | C21 H21 N5 O6 |
| Smiles: | Cc1nc(C2=C3CCCCCN3C(N(CC(Nc3ccc4c(c3)OCO4)=O)C2=O)=O)no1 |
| Stereo: | ACHIRAL |
| logP: | 2.2022 |
| logD: | 2.2021 |
| logSw: | -2.9168 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 104.149 |
| InChI Key: | QJALMHDBJAOSGN-UHFFFAOYSA-N |