(2S)-N-[3-(methoxymethyl)-1H-1,2,4-triazol-5-yl]-3-methyl-2-(1H-pyrrol-1-yl)butanamide
Chemical Structure Depiction of
(2S)-N-[3-(methoxymethyl)-1H-1,2,4-triazol-5-yl]-3-methyl-2-(1H-pyrrol-1-yl)butanamide
(2S)-N-[3-(methoxymethyl)-1H-1,2,4-triazol-5-yl]-3-methyl-2-(1H-pyrrol-1-yl)butanamide
Compound characteristics
| Compound ID: | Y044-4907 |
| Compound Name: | (2S)-N-[3-(methoxymethyl)-1H-1,2,4-triazol-5-yl]-3-methyl-2-(1H-pyrrol-1-yl)butanamide |
| Molecular Weight: | 277.32 |
| Molecular Formula: | C13 H19 N5 O2 |
| Smiles: | CC(C)[C@@H](C(Nc1nc(COC)n[nH]1)=O)n1cccc1 |
| Stereo: | ABSOLUTE |
| logP: | 1.1964 |
| logD: | 1.0726 |
| logSw: | -1.9442 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.765 |
| InChI Key: | LRLQNHPVRIBJGG-NSHDSACASA-N |