N-(2-methoxy-5-methylphenyl)-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-(2-methoxy-5-methylphenyl)-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-(2-methoxy-5-methylphenyl)-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: | S376-3254 |
| Compound Name: | N-(2-methoxy-5-methylphenyl)-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: | 439.47 |
| Molecular Formula: | C22 H25 N5 O5 |
| Smiles: | Cc1ccc(c(c1)NC(CN1C(C(=C2CCCCCN2C1=O)c1nc(C)on1)=O)=O)OC |
| Stereo: | ACHIRAL |
| logP: | 2.206 |
| logD: | 2.2059 |
| logSw: | -2.9194 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 93.966 |
| InChI Key: | KDICZNGWZKDWDZ-UHFFFAOYSA-N |