N-[4-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
Chemical Structure Depiction of
N-[4-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
N-[4-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
Compound characteristics
| Compound ID: | Y205-5289 |
| Compound Name: | N-[4-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide |
| Molecular Weight: | 411.48 |
| Molecular Formula: | C21 H21 N3 O4 S |
| Smiles: | Cc1c(C(Nc2ccc(cc2)S(N2CCc3ccccc3C2)(=O)=O)=O)c(C)on1 |
| Stereo: | ACHIRAL |
| logP: | 3.2382 |
| logD: | 3.1427 |
| logSw: | -3.6868 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.741 |
| InChI Key: | YGTWGYNDUGIINU-UHFFFAOYSA-N |