1-{(butan-2-yl)[(1-methyl-1H-pyrrol-2-yl)methyl]amino}-3-[(prop-2-en-1-yl)oxy]propan-2-ol
Chemical Structure Depiction of
1-{(butan-2-yl)[(1-methyl-1H-pyrrol-2-yl)methyl]amino}-3-[(prop-2-en-1-yl)oxy]propan-2-ol
1-{(butan-2-yl)[(1-methyl-1H-pyrrol-2-yl)methyl]amino}-3-[(prop-2-en-1-yl)oxy]propan-2-ol
Compound characteristics
Compound ID: | V030-6876 |
Compound Name: | 1-{(butan-2-yl)[(1-methyl-1H-pyrrol-2-yl)methyl]amino}-3-[(prop-2-en-1-yl)oxy]propan-2-ol |
Molecular Weight: | 280.41 |
Molecular Formula: | C16 H28 N2 O2 |
Smiles: | CCC(C)N(CC(COCC=C)O)Cc1cccn1C |
Stereo: | MIXTURE OF STEREOISOMERS |
logP: | 2.3264 |
logD: | 1.9444 |
logSw: | -2.3107 |
Hydrogen bond acceptors count: | 3 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 31.312 |
InChI Key: | BWAGSVSBRHPPKO-UHFFFAOYSA-N |