(2S)-4-(methylsulfanyl)-2-(1H-pyrrol-1-yl)-N-[2-(thiomorpholine-4-sulfonyl)ethyl]butanamide
Chemical Structure Depiction of
(2S)-4-(methylsulfanyl)-2-(1H-pyrrol-1-yl)-N-[2-(thiomorpholine-4-sulfonyl)ethyl]butanamide
(2S)-4-(methylsulfanyl)-2-(1H-pyrrol-1-yl)-N-[2-(thiomorpholine-4-sulfonyl)ethyl]butanamide
Compound characteristics
| Compound ID: | Y044-5005 |
| Compound Name: | (2S)-4-(methylsulfanyl)-2-(1H-pyrrol-1-yl)-N-[2-(thiomorpholine-4-sulfonyl)ethyl]butanamide |
| Molecular Weight: | 391.57 |
| Molecular Formula: | C15 H25 N3 O3 S3 |
| Smiles: | CSCC[C@@H](C(NCCS(N1CCSCC1)(=O)=O)=O)n1cccc1 |
| Stereo: | ABSOLUTE |
| logP: | 0.8691 |
| logD: | 0.8691 |
| logSw: | -1.6906 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.164 |
| InChI Key: | UELGQVNHDLWJOV-AWEZNQCLSA-N |