N-{2-[(3-hydroxypropyl)amino]-2-oxoethyl}-2-(1H-pyrrol-1-yl)-1,3-benzothiazole-6-carboxamide
Chemical Structure Depiction of
N-{2-[(3-hydroxypropyl)amino]-2-oxoethyl}-2-(1H-pyrrol-1-yl)-1,3-benzothiazole-6-carboxamide
N-{2-[(3-hydroxypropyl)amino]-2-oxoethyl}-2-(1H-pyrrol-1-yl)-1,3-benzothiazole-6-carboxamide
Compound characteristics
| Compound ID: | D715-1435 |
| Compound Name: | N-{2-[(3-hydroxypropyl)amino]-2-oxoethyl}-2-(1H-pyrrol-1-yl)-1,3-benzothiazole-6-carboxamide |
| Molecular Weight: | 358.42 |
| Molecular Formula: | C17 H18 N4 O3 S |
| Smiles: | C(CNC(CNC(c1ccc2c(c1)sc(n2)n1cccc1)=O)=O)CO |
| Stereo: | ACHIRAL |
| logP: | 1.6733 |
| logD: | 1.6733 |
| logSw: | -2.3666 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 79.413 |
| InChI Key: | BQRMVGLFLJKLBX-UHFFFAOYSA-N |