2-[4-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)phenyl]-5-{[(4-fluorophenyl)methyl]amino}-1,3-oxazole-4-carbonitrile
Chemical Structure Depiction of
2-[4-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)phenyl]-5-{[(4-fluorophenyl)methyl]amino}-1,3-oxazole-4-carbonitrile
2-[4-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)phenyl]-5-{[(4-fluorophenyl)methyl]amino}-1,3-oxazole-4-carbonitrile
Compound characteristics
| Compound ID: | D434-0930 |
| Compound Name: | 2-[4-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)phenyl]-5-{[(4-fluorophenyl)methyl]amino}-1,3-oxazole-4-carbonitrile |
| Molecular Weight: | 488.54 |
| Molecular Formula: | C26 H21 F N4 O3 S |
| Smiles: | C1CN(Cc2ccccc12)S(c1ccc(cc1)c1nc(C#N)c(NCc2ccc(cc2)F)o1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5173 |
| logD: | 4.5173 |
| logSw: | -4.4115 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.65 |
| InChI Key: | PPDCRAHVMGUCKF-UHFFFAOYSA-N |