2-[(cyclopropylmethyl){2-hydroxy-3-[(propan-2-yl)oxy]propyl}amino]-1-{4-[(3-methylphenoxy)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl}ethan-1-one
Chemical Structure Depiction of
2-[(cyclopropylmethyl){2-hydroxy-3-[(propan-2-yl)oxy]propyl}amino]-1-{4-[(3-methylphenoxy)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl}ethan-1-one
2-[(cyclopropylmethyl){2-hydroxy-3-[(propan-2-yl)oxy]propyl}amino]-1-{4-[(3-methylphenoxy)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl}ethan-1-one
Compound characteristics
| Compound ID: | V021-3658 |
| Compound Name: | 2-[(cyclopropylmethyl){2-hydroxy-3-[(propan-2-yl)oxy]propyl}amino]-1-{4-[(3-methylphenoxy)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl}ethan-1-one |
| Molecular Weight: | 486.67 |
| Molecular Formula: | C27 H38 N2 O4 S |
| Salt: | not_available |
| Smiles: | CC(C)OCC(CN(CC1CC1)CC(N1CCc2c(ccs2)C1COc1cccc(C)c1)=O)O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.6013 |
| logD: | 4.5086 |
| logSw: | -4.3553 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.212 |
| InChI Key: | SHFWKKWZFIASQA-UHFFFAOYSA-N |