N-(5-chloro-2-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-(5-chloro-2-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-(5-chloro-2-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: | S376-3171 |
| Compound Name: | N-(5-chloro-2-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: | 443.89 |
| Molecular Formula: | C21 H22 Cl N5 O4 |
| Smiles: | Cc1ccc(cc1NC(CN1C(C(=C2CCCCCN2C1=O)c1nc(C)on1)=O)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 2.8262 |
| logD: | 2.8261 |
| logSw: | -3.4484 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.336 |
| InChI Key: | RMALOVDCQBIJJE-UHFFFAOYSA-N |