2-[4-(5-ethyl-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-ethylphenyl)acetamide
Chemical Structure Depiction of
2-[4-(5-ethyl-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-ethylphenyl)acetamide
2-[4-(5-ethyl-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-ethylphenyl)acetamide
Compound characteristics
| Compound ID: | S376-3312 |
| Compound Name: | 2-[4-(5-ethyl-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-ethylphenyl)acetamide |
| Molecular Weight: | 437.5 |
| Molecular Formula: | C23 H27 N5 O4 |
| Smiles: | CCc1ccc(cc1)NC(CN1C(C(=C2CCCCCN2C1=O)c1nc(CC)on1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9506 |
| logD: | 3.9506 |
| logSw: | -3.7367 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.471 |
| InChI Key: | YNOTYIZGHATJRG-UHFFFAOYSA-N |