{2-[4-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-1-methyl-1H-pyrrol-2-yl]-4-methyl-1,3-thiazol-5-yl}(pyrrolidin-1-yl)methanone
Chemical Structure Depiction of
{2-[4-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-1-methyl-1H-pyrrol-2-yl]-4-methyl-1,3-thiazol-5-yl}(pyrrolidin-1-yl)methanone
{2-[4-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-1-methyl-1H-pyrrol-2-yl]-4-methyl-1,3-thiazol-5-yl}(pyrrolidin-1-yl)methanone
Compound characteristics
| Compound ID: | M330-0085 |
| Compound Name: | {2-[4-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-1-methyl-1H-pyrrol-2-yl]-4-methyl-1,3-thiazol-5-yl}(pyrrolidin-1-yl)methanone |
| Molecular Weight: | 470.61 |
| Molecular Formula: | C23 H26 N4 O3 S2 |
| Smiles: | Cc1c(C(N2CCCC2)=O)sc(c2cc(cn2C)S(N2CCc3ccccc3C2)(=O)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 3.6769 |
| logD: | 3.6769 |
| logSw: | -3.77 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 61.246 |
| InChI Key: | OCNYZVVAEQVGHV-UHFFFAOYSA-N |