2-[(3-ethyl-8-methoxy-5-methyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)sulfanyl]-N-[(4-fluorophenyl)methyl]acetamide
Chemical Structure Depiction of
2-[(3-ethyl-8-methoxy-5-methyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)sulfanyl]-N-[(4-fluorophenyl)methyl]acetamide
2-[(3-ethyl-8-methoxy-5-methyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)sulfanyl]-N-[(4-fluorophenyl)methyl]acetamide
Compound characteristics
| Compound ID: | L880-0063 |
| Compound Name: | 2-[(3-ethyl-8-methoxy-5-methyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)sulfanyl]-N-[(4-fluorophenyl)methyl]acetamide |
| Molecular Weight: | 454.52 |
| Molecular Formula: | C23 H23 F N4 O3 S |
| Smiles: | CCN1C(=Nc2c3cc(ccc3n(C)c2C1=O)OC)SCC(NCc1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2315 |
| logD: | 3.2315 |
| logSw: | -3.5085 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.454 |
| InChI Key: | GVUOIVPXLWKHKN-UHFFFAOYSA-N |