N-(3-{[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylsulfanyl)propyl]amino}-3-oxopropyl)pyrazine-2-carboxamide
Chemical Structure Depiction of
N-(3-{[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylsulfanyl)propyl]amino}-3-oxopropyl)pyrazine-2-carboxamide
N-(3-{[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylsulfanyl)propyl]amino}-3-oxopropyl)pyrazine-2-carboxamide
Compound characteristics
| Compound ID: | Y044-4630 |
| Compound Name: | N-(3-{[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylsulfanyl)propyl]amino}-3-oxopropyl)pyrazine-2-carboxamide |
| Molecular Weight: | 398.49 |
| Molecular Formula: | C19 H22 N6 O2 S |
| Smiles: | CSCC[C@@H](c1nc2ccccc2[nH]1)NC(CCNC(c1cnccn1)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 0.7473 |
| logD: | 0.7466 |
| logSw: | -1.6432 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 86.452 |
| InChI Key: | MDQHIFMMLAKQCH-HNNXBMFYSA-N |