4-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-N-(prop-2-en-1-yl)-1,3-thiazole-2-carboxamide
Chemical Structure Depiction of
4-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-N-(prop-2-en-1-yl)-1,3-thiazole-2-carboxamide
4-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-N-(prop-2-en-1-yl)-1,3-thiazole-2-carboxamide
Compound characteristics
| Compound ID: | P053-2928 |
| Compound Name: | 4-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-N-(prop-2-en-1-yl)-1,3-thiazole-2-carboxamide |
| Molecular Weight: | 327.4 |
| Molecular Formula: | C17 H17 N3 O2 S |
| Smiles: | C=CCNC(c1nc(cs1)C(N1CCc2ccccc2C1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3683 |
| logD: | 2.3683 |
| logSw: | -2.6818 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.081 |
| InChI Key: | RXEXJXBUYBFZMF-UHFFFAOYSA-N |