N-[(2H-1,3-benzodioxol-5-yl)methyl]-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)methyl]-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)methyl]-2-{3-[(4-methoxyphenyl)methyl]-4-oxo-3,4-dihydro-5H-pyrimido[5,4-b]indol-5-yl}acetamide
Compound characteristics
| Compound ID: | F394-0113 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{3-[(4-methoxyphenyl)methyl]-4-oxo-3,4-dihydro-5H-pyrimido[5,4-b]indol-5-yl}acetamide |
| Molecular Weight: | 496.52 |
| Molecular Formula: | C28 H24 N4 O5 |
| Smiles: | [H]c1ccc2c(c1)c1c(C(N(Cc3ccc(cc3)OC)C=N1)=O)n2CC(NCc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4302 |
| logD: | 3.4302 |
| logSw: | -3.8808 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.059 |
| InChI Key: | VXQKARXVMVYSTJ-UHFFFAOYSA-N |