N-(2H-1,3-benzodioxol-5-yl)-2-{3-[(2-chlorophenyl)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-[(2-chlorophenyl)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-[(2-chlorophenyl)methyl]-8-methyl-4-oxo-3,4-dihydro-5H-pyrimido[5,4-b]indol-5-yl}acetamide
Compound characteristics
| Compound ID: | F394-0545 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-2-{3-[(2-chlorophenyl)methyl]-8-methyl-4-oxo-3,4-dihydro-5H-pyrimido[5,4-b]indol-5-yl}acetamide |
| Molecular Weight: | 500.94 |
| Molecular Formula: | C27 H21 Cl N4 O4 |
| Smiles: | Cc1ccc2c(c1)c1c(C(N(Cc3ccccc3[Cl])C=N1)=O)n2CC(Nc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1782 |
| logD: | 5.1781 |
| logSw: | -5.5463 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.193 |
| InChI Key: | ZSUCMTHLTRHWLX-UHFFFAOYSA-N |