N-(2H-1,3-benzodioxol-5-yl)-2-{3-[(4-methoxyphenyl)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-[(4-methoxyphenyl)methyl]-4-oxo-3,4-dihydro-5H-pyrimido[5,4-b]indol-5-yl}acetamide
N-(2H-1,3-benzodioxol-5-yl)-2-{3-[(4-methoxyphenyl)methyl]-4-oxo-3,4-dihydro-5H-pyrimido[5,4-b]indol-5-yl}acetamide
Compound characteristics
| Compound ID: | F394-0109 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-2-{3-[(4-methoxyphenyl)methyl]-4-oxo-3,4-dihydro-5H-pyrimido[5,4-b]indol-5-yl}acetamide |
| Molecular Weight: | 482.5 |
| Molecular Formula: | C27 H22 N4 O5 |
| Smiles: | [H]c1ccc2c(c1)c1c(C(N(Cc3ccc(cc3)OC)C=N1)=O)n2CC(Nc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7724 |
| logD: | 3.7723 |
| logSw: | -4.1716 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.737 |
| InChI Key: | DYFWEHWTKZSUNC-UHFFFAOYSA-N |