2-{3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-8-methyl-4-oxo-3,4-dihydro-5H-pyrimido[5,4-b]indol-5-yl}-N-(4-ethoxyphenyl)acetamide
Chemical Structure Depiction of
2-{3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-8-methyl-4-oxo-3,4-dihydro-5H-pyrimido[5,4-b]indol-5-yl}-N-(4-ethoxyphenyl)acetamide
2-{3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-8-methyl-4-oxo-3,4-dihydro-5H-pyrimido[5,4-b]indol-5-yl}-N-(4-ethoxyphenyl)acetamide
Compound characteristics
| Compound ID: | L690-0999 |
| Compound Name: | 2-{3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-8-methyl-4-oxo-3,4-dihydro-5H-pyrimido[5,4-b]indol-5-yl}-N-(4-ethoxyphenyl)acetamide |
| Molecular Weight: | 498.54 |
| Molecular Formula: | C27 H26 N6 O4 |
| Smiles: | CCOc1ccc(cc1)NC(Cn1c2C(N(Cc3nc(C4CC4)no3)C=Nc2c2cc(C)ccc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4421 |
| logD: | 4.442 |
| logSw: | -4.2988 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.067 |
| InChI Key: | CKCLFBDSBVNJEN-UHFFFAOYSA-N |