1-(3,4-dihydroquinolin-1(2H)-yl)-2-{[5-(7-methoxy-1-benzofuran-2-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
Chemical Structure Depiction of
1-(3,4-dihydroquinolin-1(2H)-yl)-2-{[5-(7-methoxy-1-benzofuran-2-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
1-(3,4-dihydroquinolin-1(2H)-yl)-2-{[5-(7-methoxy-1-benzofuran-2-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
Compound characteristics
| Compound ID: | F019-4254 |
| Compound Name: | 1-(3,4-dihydroquinolin-1(2H)-yl)-2-{[5-(7-methoxy-1-benzofuran-2-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one |
| Molecular Weight: | 460.55 |
| Molecular Formula: | C25 H24 N4 O3 S |
| Smiles: | COc1cccc2cc(c3nnc(n3CC=C)SCC(N3CCCc4ccccc34)=O)oc12 |
| Stereo: | ACHIRAL |
| logP: | 4.7253 |
| logD: | 4.7253 |
| logSw: | -5.0233 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 55.432 |
| InChI Key: | HNVHLLLRQWZEKH-UHFFFAOYSA-N |