rel-(3R,4R)-1-(isoquinoline-1-carbonyl)-4-(methoxymethyl)pyrrolidine-3-carboxamide
Chemical Structure Depiction of
rel-(3R,4R)-1-(isoquinoline-1-carbonyl)-4-(methoxymethyl)pyrrolidine-3-carboxamide
rel-(3R,4R)-1-(isoquinoline-1-carbonyl)-4-(methoxymethyl)pyrrolidine-3-carboxamide
Compound characteristics
| Compound ID: | S836-2315 |
| Compound Name: | rel-(3R,4R)-1-(isoquinoline-1-carbonyl)-4-(methoxymethyl)pyrrolidine-3-carboxamide |
| Molecular Weight: | 313.35 |
| Molecular Formula: | C17 H19 N3 O3 |
| Smiles: | COC[C@@H]1CN(C[C@H]1C(N)=O)C(c1c2ccccc2ccn1)=O |
| Stereo: | RELATIVE |
| logP: | 0.4958 |
| logD: | 0.4958 |
| logSw: | -2.0656 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.149 |
| InChI Key: | UFEZEGGVZZWNSJ-GXTWGEPZSA-N |