2-{[3-(3,5-dimethylphenyl)-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-(3,5-dimethylphenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}-N-[(4-fluorophenyl)methyl]acetamide
2-{[3-(3,5-dimethylphenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}-N-[(4-fluorophenyl)methyl]acetamide
Compound characteristics
| Compound ID: | G856-0960 |
| Compound Name: | 2-{[3-(3,5-dimethylphenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}-N-[(4-fluorophenyl)methyl]acetamide |
| Molecular Weight: | 486.57 |
| Molecular Formula: | C27 H23 F N4 O2 S |
| Smiles: | Cc1cc(C)cc(c1)N1C(=Nc2c3ccccc3[nH]c2C1=O)SCC(NCc1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7936 |
| logD: | 4.7936 |
| logSw: | -4.8293 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.589 |
| InChI Key: | PMWZRURUWATTPU-UHFFFAOYSA-N |