2-[(3-ethyl-8-methoxy-5-methyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)sulfanyl]-N-(3-fluorophenyl)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-(3-fluorophenyl)acetamide
2-[(3-ethyl-8-methoxy-5-methyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)sulfanyl]-N-(3-fluorophenyl)acetamide
Compound characteristics
| Compound ID: | L880-0054 |
| Compound Name: | 2-[(3-ethyl-8-methoxy-5-methyl-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)sulfanyl]-N-(3-fluorophenyl)acetamide |
| Molecular Weight: | 440.5 |
| Molecular Formula: | C22 H21 F N4 O3 S |
| Smiles: | CCN1C(=Nc2c3cc(ccc3n(C)c2C1=O)OC)SCC(Nc1cccc(c1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6746 |
| logD: | 3.6745 |
| logSw: | -4.0514 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.132 |
| InChI Key: | XQSKRQYFMQQMHI-UHFFFAOYSA-N |