5-(azepan-1-yl)-2-[4-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)phenyl]-1,3-oxazole-4-carbonitrile
Chemical Structure Depiction of
5-(azepan-1-yl)-2-[4-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)phenyl]-1,3-oxazole-4-carbonitrile
5-(azepan-1-yl)-2-[4-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)phenyl]-1,3-oxazole-4-carbonitrile
Compound characteristics
| Compound ID: | D434-0957 |
| Compound Name: | 5-(azepan-1-yl)-2-[4-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)phenyl]-1,3-oxazole-4-carbonitrile |
| Molecular Weight: | 462.57 |
| Molecular Formula: | C25 H26 N4 O3 S |
| Smiles: | C1CCCN(CC1)c1c(C#N)nc(c2ccc(cc2)S(N2CCc3ccccc3C2)(=O)=O)o1 |
| Stereo: | ACHIRAL |
| logP: | 4.9756 |
| logD: | 4.9756 |
| logSw: | -4.7945 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 71.459 |
| InChI Key: | CFSWFQCOJJMLEN-UHFFFAOYSA-N |