(3S)-6,7-dimethoxy-2-[4-(1H-pyrrol-1-yl)butanoyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
Chemical Structure Depiction of
(3S)-6,7-dimethoxy-2-[4-(1H-pyrrol-1-yl)butanoyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
(3S)-6,7-dimethoxy-2-[4-(1H-pyrrol-1-yl)butanoyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
Compound characteristics
| Compound ID: | Y043-8462 |
| Compound Name: | (3S)-6,7-dimethoxy-2-[4-(1H-pyrrol-1-yl)butanoyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide |
| Molecular Weight: | 371.43 |
| Molecular Formula: | C20 H25 N3 O4 |
| Smiles: | COc1cc2C[C@@H](C(N)=O)N(Cc2cc1OC)C(CCCn1cccc1)=O |
| Stereo: | ABSOLUTE |
| logP: | 0.9669 |
| logD: | 0.9669 |
| logSw: | -1.3504 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.096 |
| InChI Key: | OHZIGJFKVITEGQ-INIZCTEOSA-N |