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1246471-43-1 | Pyrido[3,2-d]pyrimidine-5(6H)-carboxylic acid, 7,8-dihydro-2-(methylthio)-, 1,1-dimethylethyl ester
CAS No: 1246471-43-1 Catalog No: AG000MIM MDL No:MFCD17171380
Product Description
Catalog Number:
AG000MIM
Chemical Name:
Pyrido[3,2-d]pyrimidine-5(6H)-carboxylic acid, 7,8-dihydro-2-(methylthio)-, 1,1-dimethylethyl ester
CAS Number:
1246471-43-1
Molecular Formula:
C13H19N3O2S
Molecular Weight:
281.3739
MDL Number:
MFCD17171380
IUPAC Name:
tert-butyl 2-methylsulfanyl-7,8-dihydro-6H-pyrido[3,2-d]pyrimidine-5-carboxylate
InChI:
InChI=1S/C13H19N3O2S/c1-13(2,3)18-12(17)16-7-5-6-9-10(16)8-14-11(15-9)19-4/h8H,5-7H2,1-4H3
InChI Key:
WTQQJKUBDRUCJD-UHFFFAOYSA-N
SMILES:
CSc1ncc2c(n1)CCCN2C(=O)OC(C)(C)C
Properties
Complexity:
332
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.12g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
281.374g/mol
Monoisotopic Mass:
281.12g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
80.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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