2-{3-[(2-chlorophenyl)methyl]-4-oxo-3,4-dihydro-5H-pyrimido[5,4-b]indol-5-yl}-N-[3-(methylsulfanyl)phenyl]acetamide
Chemical Structure Depiction of
2-{3-[(2-chlorophenyl)methyl]-4-oxo-3,4-dihydro-5H-pyrimido[5,4-b]indol-5-yl}-N-[3-(methylsulfanyl)phenyl]acetamide
2-{3-[(2-chlorophenyl)methyl]-4-oxo-3,4-dihydro-5H-pyrimido[5,4-b]indol-5-yl}-N-[3-(methylsulfanyl)phenyl]acetamide
Compound characteristics
| Compound ID: | F394-0172 |
| Compound Name: | 2-{3-[(2-chlorophenyl)methyl]-4-oxo-3,4-dihydro-5H-pyrimido[5,4-b]indol-5-yl}-N-[3-(methylsulfanyl)phenyl]acetamide |
| Molecular Weight: | 488.99 |
| Molecular Formula: | C26 H21 Cl N4 O2 S |
| Smiles: | [H]c1ccc2c(c1)c1c(C(N(Cc3ccccc3[Cl])C=N1)=O)n2CC(Nc1cccc(c1)SC)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2363 |
| logD: | 5.2363 |
| logSw: | -5.7157 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.078 |
| InChI Key: | UNIANQUWWAJREE-UHFFFAOYSA-N |