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1201187-44-1 | Carbamic acid, N-[5-[(4-methylphenyl)sulfonyl]-5H-pyrrolo[2,3-b]pyrazin-2-yl]-, 1,1-dimethylethyl ester
CAS No: 1201187-44-1 Catalog No: AG000QC2 MDL No:MFCD28129728
Product Description
Catalog Number:
AG000QC2
Chemical Name:
Carbamic acid, N-[5-[(4-methylphenyl)sulfonyl]-5H-pyrrolo[2,3-b]pyrazin-2-yl]-, 1,1-dimethylethyl ester
CAS Number:
1201187-44-1
Molecular Formula:
C18H20N4O4S
Molecular Weight:
388.4408
MDL Number:
MFCD28129728
IUPAC Name:
tert-butyl N-[5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazin-2-yl]carbamate
InChI:
InChI=1S/C18H20N4O4S/c1-12-5-7-13(8-6-12)27(24,25)22-10-9-14-16(22)19-11-15(20-14)21-17(23)26-18(2,3)4/h5-11H,1-4H3,(H,20,21,23)
InChI Key:
NTMJGYRFMXFNIC-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)Nc1cnc2c(n1)ccn2S(=O)(=O)c1ccc(cc1)C
Properties
Complexity:
635
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
388.121g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
388.442g/mol
Monoisotopic Mass:
388.121g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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