2-[4-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)phenyl]-5-{[(4-methylphenyl)methyl]amino}-1,3-oxazole-4-carbonitrile
Chemical Structure Depiction of
2-[4-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)phenyl]-5-{[(4-methylphenyl)methyl]amino}-1,3-oxazole-4-carbonitrile
2-[4-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)phenyl]-5-{[(4-methylphenyl)methyl]amino}-1,3-oxazole-4-carbonitrile
Compound characteristics
| Compound ID: | D434-0929 |
| Compound Name: | 2-[4-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)phenyl]-5-{[(4-methylphenyl)methyl]amino}-1,3-oxazole-4-carbonitrile |
| Molecular Weight: | 484.58 |
| Molecular Formula: | C27 H24 N4 O3 S |
| Smiles: | Cc1ccc(CNc2c(C#N)nc(c3ccc(cc3)S(N3CCc4ccccc4C3)(=O)=O)o2)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.9117 |
| logD: | 4.9117 |
| logSw: | -4.5521 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.65 |
| InChI Key: | AGTJMELCTOVEDS-UHFFFAOYSA-N |