5-(butylamino)-2-[4-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)phenyl]-1,3-oxazole-4-carbonitrile
Chemical Structure Depiction of
5-(butylamino)-2-[4-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)phenyl]-1,3-oxazole-4-carbonitrile
5-(butylamino)-2-[4-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)phenyl]-1,3-oxazole-4-carbonitrile
Compound characteristics
| Compound ID: | D434-0920 |
| Compound Name: | 5-(butylamino)-2-[4-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)phenyl]-1,3-oxazole-4-carbonitrile |
| Molecular Weight: | 436.53 |
| Molecular Formula: | C23 H24 N4 O3 S |
| Smiles: | CCCCNc1c(C#N)nc(c2ccc(cc2)S(N2CCc3ccccc3C2)(=O)=O)o1 |
| Stereo: | ACHIRAL |
| logP: | 4.5318 |
| logD: | 4.5318 |
| logSw: | -4.1189 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.763 |
| InChI Key: | XBWHWVLCWRNCKR-UHFFFAOYSA-N |