2-(3-benzyl-4-oxo-3,4-dihydro-5H-pyrimido[5,4-b]indol-5-yl)-N-(3-chloro-4-methoxyphenyl)acetamide
Chemical Structure Depiction of
2-(3-benzyl-4-oxo-3,4-dihydro-5H-pyrimido[5,4-b]indol-5-yl)-N-(3-chloro-4-methoxyphenyl)acetamide
2-(3-benzyl-4-oxo-3,4-dihydro-5H-pyrimido[5,4-b]indol-5-yl)-N-(3-chloro-4-methoxyphenyl)acetamide
Compound characteristics
| Compound ID: | F394-0057 |
| Compound Name: | 2-(3-benzyl-4-oxo-3,4-dihydro-5H-pyrimido[5,4-b]indol-5-yl)-N-(3-chloro-4-methoxyphenyl)acetamide |
| Molecular Weight: | 472.93 |
| Molecular Formula: | C26 H21 Cl N4 O3 |
| Smiles: | [H]c1ccc2c(c1)c1c(C(N(Cc3ccccc3)C=N1)=O)n2CC(Nc1ccc(c(c1)[Cl])OC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4676 |
| logD: | 4.4668 |
| logSw: | -4.5795 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.708 |
| InChI Key: | PTJGURRWWVGZFB-UHFFFAOYSA-N |