N-(2H-1,3-benzodioxol-5-yl)-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}acetamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-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}acetamide
N-(2H-1,3-benzodioxol-5-yl)-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}acetamide
Compound characteristics
| Compound ID: | L690-0990 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-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}acetamide |
| Molecular Weight: | 498.5 |
| Molecular Formula: | C26 H22 N6 O5 |
| Smiles: | Cc1ccc2c(c1)c1c(C(N(Cc3nc(C4CC4)no3)C=N1)=O)n2CC(Nc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9062 |
| logD: | 3.9061 |
| logSw: | -4.024 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 97.059 |
| InChI Key: | CZTJQXRPCGQVIX-UHFFFAOYSA-N |