2-[4-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)phenyl]-5-{[3-(1H-imidazol-1-yl)propyl]amino}-1,3-oxazole-4-carbonitrile
Chemical Structure Depiction of
2-[4-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)phenyl]-5-{[3-(1H-imidazol-1-yl)propyl]amino}-1,3-oxazole-4-carbonitrile
2-[4-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)phenyl]-5-{[3-(1H-imidazol-1-yl)propyl]amino}-1,3-oxazole-4-carbonitrile
Compound characteristics
| Compound ID: | D434-0940 |
| Compound Name: | 2-[4-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)phenyl]-5-{[3-(1H-imidazol-1-yl)propyl]amino}-1,3-oxazole-4-carbonitrile |
| Molecular Weight: | 488.57 |
| Molecular Formula: | C25 H24 N6 O3 S |
| Smiles: | C(CNc1c(C#N)nc(c2ccc(cc2)S(N2CCc3ccccc3C2)(=O)=O)o1)Cn1ccnc1 |
| Stereo: | ACHIRAL |
| logP: | 2.9668 |
| logD: | 2.7249 |
| logSw: | -3.408 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.292 |
| InChI Key: | TTWGTRQKVHWPQJ-UHFFFAOYSA-N |