N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[4-methyl-5-(pyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]thiophene-2-sulfonamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[4-methyl-5-(pyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]thiophene-2-sulfonamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[4-methyl-5-(pyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]thiophene-2-sulfonamide
Compound characteristics
| Compound ID: | M023-0074 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[4-methyl-5-(pyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]thiophene-2-sulfonamide |
| Molecular Weight: | 491.61 |
| Molecular Formula: | C21 H21 N3 O5 S3 |
| Smiles: | Cc1c(C(N2CCCC2)=O)sc(c2cc(sc2)S(NCc2ccc3c(c2)OCO3)(=O)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 3.8758 |
| logD: | 3.8749 |
| logSw: | -3.9113 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.456 |
| InChI Key: | AGZYWEQSAAUGFL-UHFFFAOYSA-N |