methyl 2-[(2S)-4-methyl-2-(1H-pyrrol-1-yl)pentanamido]-1,3-benzothiazole-6-carboxylate
Chemical Structure Depiction of
methyl 2-[(2S)-4-methyl-2-(1H-pyrrol-1-yl)pentanamido]-1,3-benzothiazole-6-carboxylate
methyl 2-[(2S)-4-methyl-2-(1H-pyrrol-1-yl)pentanamido]-1,3-benzothiazole-6-carboxylate
Compound characteristics
| Compound ID: | Y043-5589 |
| Compound Name: | methyl 2-[(2S)-4-methyl-2-(1H-pyrrol-1-yl)pentanamido]-1,3-benzothiazole-6-carboxylate |
| Molecular Weight: | 371.46 |
| Molecular Formula: | C19 H21 N3 O3 S |
| Smiles: | CC(C)C[C@@H](C(Nc1nc2ccc(cc2s1)C(=O)OC)=O)n1cccc1 |
| Stereo: | ABSOLUTE |
| logP: | 4.8025 |
| logD: | 4.8021 |
| logSw: | -4.5483 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.059 |
| InChI Key: | KHGSTCYMBPOUGG-HNNXBMFYSA-N |