N-{(2S)-1-oxo-1-[(3-phenylpropyl)amino]propan-2-yl}-2-(1H-pyrrol-1-yl)-1,3-benzothiazole-6-carboxamide
Chemical Structure Depiction of
N-{(2S)-1-oxo-1-[(3-phenylpropyl)amino]propan-2-yl}-2-(1H-pyrrol-1-yl)-1,3-benzothiazole-6-carboxamide
N-{(2S)-1-oxo-1-[(3-phenylpropyl)amino]propan-2-yl}-2-(1H-pyrrol-1-yl)-1,3-benzothiazole-6-carboxamide
Compound characteristics
| Compound ID: | Y042-9934 |
| Compound Name: | N-{(2S)-1-oxo-1-[(3-phenylpropyl)amino]propan-2-yl}-2-(1H-pyrrol-1-yl)-1,3-benzothiazole-6-carboxamide |
| Molecular Weight: | 432.54 |
| Molecular Formula: | C24 H24 N4 O2 S |
| Smiles: | C[C@@H](C(NCCCc1ccccc1)=O)NC(c1ccc2c(c1)sc(n2)n1cccc1)=O |
| Stereo: | ABSOLUTE |
| logP: | 4.7442 |
| logD: | 4.7442 |
| logSw: | -4.5285 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 61.862 |
| InChI Key: | RBLPXHRTNZTVQX-KRWDZBQOSA-N |