N-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-oxoethyl)-2-(1H-pyrrol-1-yl)-1,3-benzothiazole-6-carboxamide
Chemical Structure Depiction of
N-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-oxoethyl)-2-(1H-pyrrol-1-yl)-1,3-benzothiazole-6-carboxamide
N-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-oxoethyl)-2-(1H-pyrrol-1-yl)-1,3-benzothiazole-6-carboxamide
Compound characteristics
| Compound ID: | IB05-0660 |
| Compound Name: | N-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-oxoethyl)-2-(1H-pyrrol-1-yl)-1,3-benzothiazole-6-carboxamide |
| Molecular Weight: | 434.47 |
| Molecular Formula: | C22 H18 N4 O4 S |
| Smiles: | C(C(NCc1ccc2c(c1)OCO2)=O)NC(c1ccc2c(c1)sc(n2)n1cccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.97 |
| logD: | 3.97 |
| logSw: | -5.22 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 144.31 |
| InChI Key: | FNQPKPIKQXDFDW-UHFFFAOYSA-N |