Name: Name:Isopropyl 2-(4-chloro-6-phenylthieno[2,3-d]pyrimidin-2-yl)acetate
Brand: Angene
SKU: AG00H1UC
Rating: 90 (10 reviews)

Isopropyl 2-(4-chloro-6-phenylthieno[2,3-d]pyrimidin-2-yl)acetate

CAS No.:

885460-48-0

Catalog Number:

AG00H1UC

Molecular Formula:

C17H15ClN2O2S

Molecular Weight:

346.8312

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United States

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Catalog Number:

AG00H1UC

Chemical Name:

Isopropyl 2-(4-chloro-6-phenylthieno[2,3-d]pyrimidin-2-yl)acetate

CAS Number:

885460-48-0

Molecular Formula:

C17H15ClN2O2S

Molecular Weight:

346.8312

MDL Number:

MFCD06660714

IUPAC Name:

propan-2-yl 2-(4-chloro-6-phenylthieno[2,3-d]pyrimidin-2-yl)acetate

InChI:

InChI=1S/C17H15ClN2O2S/c1-10(2)22-15(21)9-14-19-16(18)12-8-13(23-17(12)20-14)11-6-4-3-5-7-11/h3-8,10H,9H2,1-2H3

InChI Key:

DTEQKPOZSKMFOX-UHFFFAOYSA-N

SMILES:

CC(OC(=O)Cc1nc(Cl)c2c(n1)sc(c2)c1ccccc1)C

Complexity:

417

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

346.054g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

346.829g/mol

Monoisotopic Mass:

346.054g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

80.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

4.8