methyl [(2S)-3-methyl-1-{(2S)-2-[5-(naphthalen-2-yl)-1H-imidazol-2-yl]pyrrolidin-1-yl}-1-oxobutan-2-yl]carbamate--hydrogen chloride (1/1)
Chemical Structure Depiction of
methyl [(2S)-3-methyl-1-{(2S)-2-[5-(naphthalen-2-yl)-1H-imidazol-2-yl]pyrrolidin-1-yl}-1-oxobutan-2-yl]carbamate--hydrogen chloride (1/1)
methyl [(2S)-3-methyl-1-{(2S)-2-[5-(naphthalen-2-yl)-1H-imidazol-2-yl]pyrrolidin-1-yl}-1-oxobutan-2-yl]carbamate--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | H027-4014C |
| Compound Name: | methyl [(2S)-3-methyl-1-{(2S)-2-[5-(naphthalen-2-yl)-1H-imidazol-2-yl]pyrrolidin-1-yl}-1-oxobutan-2-yl]carbamate--hydrogen chloride (1/1) |
| Molecular Weight: | 456.97 |
| Molecular Formula: | C24 H28 N4 O3 |
| Salt: | HCl |
| Smiles: | CC(C)[C@@H](C(N1CCC[C@H]1c1ncc(c2ccc3ccccc3c2)[nH]1)=O)NC(=O)OC |
| Stereo: | ABSOLUTE |
| logP: | 3.597 |
| logD: | 3.5963 |
| logSw: | -3.6739 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.053 |
| InChI Key: | NEJOYEHHPYJIRE-SFTDATJTSA-N |