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Home > Pyridines > 956930-27-1
956930-27-1 | (2Z)-3-({6-[4-(ethoxycarbonyl)-3,5-dimethyl-1H-pyrazol-1-yl]pyridin-3-yl}carbamoyl)prop-2-enoic acid
CAS No: 956930-27-1 Catalog No: AG00IU3S MDL No:MFCD02661738
Product Description
Catalog Number:
AG00IU3S
Chemical Name:
(2Z)-3-({6-[4-(ethoxycarbonyl)-3,5-dimethyl-1H-pyrazol-1-yl]pyridin-3-yl}carbamoyl)prop-2-enoic acid
CAS Number:
956930-27-1
Molecular Formula:
C17H18N4O5
Molecular Weight:
358.3486
MDL Number:
MFCD02661738
IUPAC Name:
4-[[6-(4-ethoxycarbonyl-3,5-dimethylpyrazol-1-yl)pyridin-3-yl]amino]-4-oxobut-2-enoic acid
InChI:
InChI=1S/C17H18N4O5/c1-4-26-17(25)16-10(2)20-21(11(16)3)13-6-5-12(9-18-13)19-14(22)7-8-15(23)24/h5-9H,4H2,1-3H3,(H,19,22)(H,23,24)
InChI Key:
HOKKJDOBAOYCQE-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1c(C)nn(c1C)c1ccc(cn1)NC(=O)/C=C\C(=O)O
Properties
Complexity:
567
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
358.128g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
358.354g/mol
Monoisotopic Mass:
358.128g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
123A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.1
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