N-[3-(4-ethoxyphenyl)-1,2-oxazol-5-yl]-3-methyl-4-oxo-4,6,7,8,9,10-hexahydrothieno[2',3':4,5]pyrimido[1,2-a]azepine-2-carboxamide
Chemical Structure Depiction of
N-[3-(4-ethoxyphenyl)-1,2-oxazol-5-yl]-3-methyl-4-oxo-4,6,7,8,9,10-hexahydrothieno[2',3':4,5]pyrimido[1,2-a]azepine-2-carboxamide
N-[3-(4-ethoxyphenyl)-1,2-oxazol-5-yl]-3-methyl-4-oxo-4,6,7,8,9,10-hexahydrothieno[2',3':4,5]pyrimido[1,2-a]azepine-2-carboxamide
Compound characteristics
| Compound ID: | E213-0592 |
| Compound Name: | N-[3-(4-ethoxyphenyl)-1,2-oxazol-5-yl]-3-methyl-4-oxo-4,6,7,8,9,10-hexahydrothieno[2',3':4,5]pyrimido[1,2-a]azepine-2-carboxamide |
| Molecular Weight: | 464.54 |
| Molecular Formula: | C24 H24 N4 O4 S |
| Smiles: | CCOc1ccc(cc1)c1cc(NC(c2c(C)c3C(N4CCCCCC4=Nc3s2)=O)=O)on1 |
| Stereo: | ACHIRAL |
| logP: | 4.2588 |
| logD: | 4.1954 |
| logSw: | -4.2582 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.118 |
| InChI Key: | IANHRASCAKMEAF-UHFFFAOYSA-N |