1-[({1-[(4-tert-butylphenyl)methyl]-1H-pyrrol-2-yl}methyl)(3-methylbutan-2-yl)amino]-3-[(prop-2-en-1-yl)oxy]propan-2-ol
Chemical Structure Depiction of
1-[({1-[(4-tert-butylphenyl)methyl]-1H-pyrrol-2-yl}methyl)(3-methylbutan-2-yl)amino]-3-[(prop-2-en-1-yl)oxy]propan-2-ol
1-[({1-[(4-tert-butylphenyl)methyl]-1H-pyrrol-2-yl}methyl)(3-methylbutan-2-yl)amino]-3-[(prop-2-en-1-yl)oxy]propan-2-ol
Compound characteristics
Compound ID: | V009-1663 |
Compound Name: | 1-[({1-[(4-tert-butylphenyl)methyl]-1H-pyrrol-2-yl}methyl)(3-methylbutan-2-yl)amino]-3-[(prop-2-en-1-yl)oxy]propan-2-ol |
Molecular Weight: | 426.64 |
Molecular Formula: | C27 H42 N2 O2 |
Salt: | not_available |
Smiles: | CC(C)C(C)N(CC(COCC=C)O)Cc1cccn1Cc1ccc(cc1)C(C)(C)C |
Stereo: | MIXTURE OF STEREOISOMERS |
logP: | 5.988 |
logD: | 5.7853 |
logSw: | -5.617 |
Hydrogen bond acceptors count: | 3 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 30.5203 |
InChI Key: | NFTQYVKTVWIWRA-UHFFFAOYSA-N |