N-[(furan-2-yl)methyl]-2-{[3-(2-methoxy-5-methylphenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-[(furan-2-yl)methyl]-2-{[3-(2-methoxy-5-methylphenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetamide
N-[(furan-2-yl)methyl]-2-{[3-(2-methoxy-5-methylphenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | G856-1338 |
| Compound Name: | N-[(furan-2-yl)methyl]-2-{[3-(2-methoxy-5-methylphenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetamide |
| Molecular Weight: | 474.54 |
| Molecular Formula: | C25 H22 N4 O4 S |
| Smiles: | Cc1ccc(c(c1)N1C(=Nc2c3ccccc3[nH]c2C1=O)SCC(NCc1ccco1)=O)OC |
| Stereo: | ACHIRAL |
| logP: | 3.8165 |
| logD: | 3.8165 |
| logSw: | -4.1448 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.668 |
| InChI Key: | DJMVIOISZDIKDL-UHFFFAOYSA-N |