methyl 4-(2-{3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-4-oxo-3,4-dihydro-5H-pyrimido[5,4-b]indol-5-yl}acetamido)benzoate
Chemical Structure Depiction of
methyl 4-(2-{3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-4-oxo-3,4-dihydro-5H-pyrimido[5,4-b]indol-5-yl}acetamido)benzoate
methyl 4-(2-{3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-4-oxo-3,4-dihydro-5H-pyrimido[5,4-b]indol-5-yl}acetamido)benzoate
Compound characteristics
| Compound ID: | L690-0544 |
| Compound Name: | methyl 4-(2-{3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-4-oxo-3,4-dihydro-5H-pyrimido[5,4-b]indol-5-yl}acetamido)benzoate |
| Molecular Weight: | 498.5 |
| Molecular Formula: | C26 H22 N6 O5 |
| Smiles: | [H]c1ccc2c(c1)c1c(C(N(Cc3nc(C4CC4)no3)C=N1)=O)n2CC(Nc1ccc(cc1)C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5941 |
| logD: | 3.5939 |
| logSw: | -3.6988 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 101.118 |
| InChI Key: | JMILLVSKNPGDAA-UHFFFAOYSA-N |