2-[(cyclopropylmethyl){2-hydroxy-3-[(prop-2-yn-1-yl)oxy]propyl}amino]-1-[4-(phenoxymethyl)-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]ethan-1-one
Chemical Structure Depiction of
2-[(cyclopropylmethyl){2-hydroxy-3-[(prop-2-yn-1-yl)oxy]propyl}amino]-1-[4-(phenoxymethyl)-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]ethan-1-one
2-[(cyclopropylmethyl){2-hydroxy-3-[(prop-2-yn-1-yl)oxy]propyl}amino]-1-[4-(phenoxymethyl)-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]ethan-1-one
Compound characteristics
| Compound ID: | V018-2293 |
| Compound Name: | 2-[(cyclopropylmethyl){2-hydroxy-3-[(prop-2-yn-1-yl)oxy]propyl}amino]-1-[4-(phenoxymethyl)-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]ethan-1-one |
| Molecular Weight: | 468.61 |
| Molecular Formula: | C26 H32 N2 O4 S |
| Salt: | not_available |
| Smiles: | C#CCOCC(CN(CC1CC1)CC(N1CCc2c(ccs2)C1COc1ccccc1)=O)O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.56 |
| logD: | 3.5257 |
| logSw: | -3.4672 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.283 |
| InChI Key: | GECHBLIUADRXSI-UHFFFAOYSA-N |