N-(3,4-dimethylphenyl)-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-(3,4-dimethylphenyl)-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-(3,4-dimethylphenyl)-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: | S376-3137 |
| Compound Name: | N-(3,4-dimethylphenyl)-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: | 423.47 |
| Molecular Formula: | C22 H25 N5 O4 |
| Smiles: | Cc1ccc(cc1C)NC(CN1C(C(=C2CCCCCN2C1=O)c1nc(C)on1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3565 |
| logD: | 3.3565 |
| logSw: | -3.354 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.034 |
| InChI Key: | BQXYMAGQDFGIPX-UHFFFAOYSA-N |