N-benzyl-2-{3-[(4-methoxyphenyl)methyl]-8-methyl-4-oxo-3,4-dihydro-5H-pyrimido[5,4-b]indol-5-yl}acetamide
Chemical Structure Depiction of
N-benzyl-2-{3-[(4-methoxyphenyl)methyl]-8-methyl-4-oxo-3,4-dihydro-5H-pyrimido[5,4-b]indol-5-yl}acetamide
N-benzyl-2-{3-[(4-methoxyphenyl)methyl]-8-methyl-4-oxo-3,4-dihydro-5H-pyrimido[5,4-b]indol-5-yl}acetamide
Compound characteristics
| Compound ID: | F394-0451 |
| Compound Name: | N-benzyl-2-{3-[(4-methoxyphenyl)methyl]-8-methyl-4-oxo-3,4-dihydro-5H-pyrimido[5,4-b]indol-5-yl}acetamide |
| Molecular Weight: | 466.54 |
| Molecular Formula: | C28 H26 N4 O3 |
| Smiles: | Cc1ccc2c(c1)c1c(C(N(Cc3ccc(cc3)OC)C=N1)=O)n2CC(NCc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0868 |
| logD: | 4.0868 |
| logSw: | -4.3215 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.944 |
| InChI Key: | AOXUHVLCUYGOBG-UHFFFAOYSA-N |