(2S)-4-(methylsulfanyl)-2-(1H-pyrrol-1-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)butanamide
Chemical Structure Depiction of
(2S)-4-(methylsulfanyl)-2-(1H-pyrrol-1-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)butanamide
(2S)-4-(methylsulfanyl)-2-(1H-pyrrol-1-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)butanamide
Compound characteristics
| Compound ID: | Y043-5742 |
| Compound Name: | (2S)-4-(methylsulfanyl)-2-(1H-pyrrol-1-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)butanamide |
| Molecular Weight: | 335.49 |
| Molecular Formula: | C16 H21 N3 O S2 |
| Smiles: | CSCC[C@@H](C(Nc1nc2CCCCc2s1)=O)n1cccc1 |
| Stereo: | ABSOLUTE |
| logP: | 3.9816 |
| logD: | 3.6745 |
| logSw: | -3.8865 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 38.592 |
| InChI Key: | RWOGZXPHPOFWCY-ZDUSSCGKSA-N |