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Home > Pyridines > 338956-35-7
338956-35-7 | methyl (2E)-3-[4,6-dimethyl-3-(1H-pyrrol-1-yl)thieno[2,3-b]pyridin-2-yl]prop-2-enoate
CAS No: 338956-35-7 Catalog No: AG00IPNS MDL No:MFCD00244368
Product Description
Catalog Number:
AG00IPNS
Chemical Name:
methyl (2E)-3-[4,6-dimethyl-3-(1H-pyrrol-1-yl)thieno[2,3-b]pyridin-2-yl]prop-2-enoate
CAS Number:
338956-35-7
Molecular Formula:
C17H16N2O2S
Molecular Weight:
312.3861
MDL Number:
MFCD00244368
IUPAC Name:
methyl 3-(4,6-dimethyl-3-pyrrol-1-ylthieno[2,3-b]pyridin-2-yl)prop-2-enoate
InChI:
InChI=1S/C17H16N2O2S/c1-11-10-12(2)18-17-15(11)16(19-8-4-5-9-19)13(22-17)6-7-14(20)21-3/h4-10H,1-3H3
InChI Key:
HIALHTRMSVMEMZ-UHFFFAOYSA-N
SMILES:
COC(=O)/C=C/c1sc2c(c1n1cccc1)c(C)cc(n2)C
Properties
Complexity:
436
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.093g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
312.387g/mol
Monoisotopic Mass:
312.093g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
72.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.7
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