N-{(2S)-1-[(2-hydroxyethyl)amino]-1-oxopropan-2-yl}-2-(1H-pyrrol-1-yl)-1,3-benzothiazole-6-carboxamide
Chemical Structure Depiction of
N-{(2S)-1-[(2-hydroxyethyl)amino]-1-oxopropan-2-yl}-2-(1H-pyrrol-1-yl)-1,3-benzothiazole-6-carboxamide
N-{(2S)-1-[(2-hydroxyethyl)amino]-1-oxopropan-2-yl}-2-(1H-pyrrol-1-yl)-1,3-benzothiazole-6-carboxamide
Compound characteristics
| Compound ID: | Y042-9936 |
| Compound Name: | N-{(2S)-1-[(2-hydroxyethyl)amino]-1-oxopropan-2-yl}-2-(1H-pyrrol-1-yl)-1,3-benzothiazole-6-carboxamide |
| Molecular Weight: | 358.42 |
| Molecular Formula: | C17 H18 N4 O3 S |
| Smiles: | C[C@@H](C(NCCO)=O)NC(c1ccc2c(c1)sc(n2)n1cccc1)=O |
| Stereo: | ABSOLUTE |
| logP: | 1.6216 |
| logD: | 1.6216 |
| logSw: | -2.4071 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 78.79 |
| InChI Key: | OBKNXFYRZGMGOR-NSHDSACASA-N |