N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{3-[(2-chlorophenyl)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)methyl]-2-{3-[(2-chlorophenyl)methyl]-4-oxo-3,4-dihydro-5H-pyrimido[5,4-b]indol-5-yl}acetamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{3-[(2-chlorophenyl)methyl]-4-oxo-3,4-dihydro-5H-pyrimido[5,4-b]indol-5-yl}acetamide
Compound characteristics
| Compound ID: | F394-0190 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{3-[(2-chlorophenyl)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: | [H]c1ccc2c(c1)c1c(C(N(Cc3ccccc3[Cl])C=N1)=O)n2CC(NCc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2662 |
| logD: | 4.2662 |
| logSw: | -4.4516 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.515 |
| InChI Key: | QVZXCNNATADXDX-UHFFFAOYSA-N |