N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylsulfanyl)propyl]-3-(3-hydroxy-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl)propanamide
Chemical Structure Depiction of
N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylsulfanyl)propyl]-3-(3-hydroxy-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl)propanamide
N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylsulfanyl)propyl]-3-(3-hydroxy-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl)propanamide
Compound characteristics
| Compound ID: | Y044-4679 |
| Compound Name: | N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylsulfanyl)propyl]-3-(3-hydroxy-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl)propanamide |
| Molecular Weight: | 388.45 |
| Molecular Formula: | C17 H20 N6 O3 S |
| Smiles: | CSCC[C@@H](c1nc2ccccc2[nH]1)NC(CCC1C(NC(=NN=1)O)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 0.5767 |
| logD: | -2.9127 |
| logSw: | -2.0591 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 105.958 |
| InChI Key: | GEZCOXVMNRVCBC-LBPRGKRZSA-N |