2-{3-[(4-methoxyphenyl)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-[(4-methoxyphenyl)methyl]-4-oxo-3,4-dihydro-5H-pyrimido[5,4-b]indol-5-yl}-N-[3-(methylsulfanyl)phenyl]acetamide
2-{3-[(4-methoxyphenyl)methyl]-4-oxo-3,4-dihydro-5H-pyrimido[5,4-b]indol-5-yl}-N-[3-(methylsulfanyl)phenyl]acetamide
Compound characteristics
| Compound ID: | F394-0095 |
| Compound Name: | 2-{3-[(4-methoxyphenyl)methyl]-4-oxo-3,4-dihydro-5H-pyrimido[5,4-b]indol-5-yl}-N-[3-(methylsulfanyl)phenyl]acetamide |
| Molecular Weight: | 484.58 |
| Molecular Formula: | C27 H24 N4 O3 S |
| Smiles: | [H]c1ccc2c(c1)c1c(C(N(Cc3ccc(cc3)OC)C=N1)=O)n2CC(Nc1cccc(c1)SC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4003 |
| logD: | 4.4003 |
| logSw: | -4.3897 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.621 |
| InChI Key: | ZSFOLESAQFOPQW-UHFFFAOYSA-N |