{2-[5-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)thiophen-3-yl]-4-methyl-1,3-thiazol-5-yl}(pyrrolidin-1-yl)methanone
Chemical Structure Depiction of
{2-[5-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)thiophen-3-yl]-4-methyl-1,3-thiazol-5-yl}(pyrrolidin-1-yl)methanone
{2-[5-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)thiophen-3-yl]-4-methyl-1,3-thiazol-5-yl}(pyrrolidin-1-yl)methanone
Compound characteristics
| Compound ID: | M023-0085 |
| Compound Name: | {2-[5-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)thiophen-3-yl]-4-methyl-1,3-thiazol-5-yl}(pyrrolidin-1-yl)methanone |
| Molecular Weight: | 473.63 |
| Molecular Formula: | C22 H23 N3 O3 S3 |
| Smiles: | Cc1c(C(N2CCCC2)=O)sc(c2cc(sc2)S(N2CCc3ccccc3C2)(=O)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 4.4497 |
| logD: | 4.4497 |
| logSw: | -4.2882 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 59.955 |
| InChI Key: | VCAAKRZGRONEFS-UHFFFAOYSA-N |