(2S)-N-(2,3-dioxo-1,2,3,4-tetrahydroquinoxalin-6-yl)-4-(methylsulfanyl)-2-(1H-pyrrol-1-yl)butanamide
Chemical Structure Depiction of
(2S)-N-(2,3-dioxo-1,2,3,4-tetrahydroquinoxalin-6-yl)-4-(methylsulfanyl)-2-(1H-pyrrol-1-yl)butanamide
(2S)-N-(2,3-dioxo-1,2,3,4-tetrahydroquinoxalin-6-yl)-4-(methylsulfanyl)-2-(1H-pyrrol-1-yl)butanamide
Compound characteristics
| Compound ID: | Y043-5748 |
| Compound Name: | (2S)-N-(2,3-dioxo-1,2,3,4-tetrahydroquinoxalin-6-yl)-4-(methylsulfanyl)-2-(1H-pyrrol-1-yl)butanamide |
| Molecular Weight: | 358.42 |
| Molecular Formula: | C17 H18 N4 O3 S |
| Smiles: | CSCC[C@@H](C(Nc1ccc2c(c1)NC(C(N2)=O)=O)=O)n1cccc1 |
| Stereo: | ABSOLUTE |
| logP: | 1.4661 |
| logD: | 1.453 |
| logSw: | -2.405 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 76.959 |
| InChI Key: | KTKNEQCKVRLSBY-AWEZNQCLSA-N |