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82585-93-1 | Ethyl (5-amino-3-(2,4-dimethylphenyl)-1,2-dihydropyrido(3,4-b)pyrazin-7-yl)carbamate
CAS No: 82585-93-1 Catalog No: AG004XN6 MDL No:
Product Description
Catalog Number:
AG004XN6
Chemical Name:
Ethyl (5-amino-3-(2,4-dimethylphenyl)-1,2-dihydropyrido(3,4-b)pyrazin-7-yl)carbamate
CAS Number:
82585-93-1
Molecular Formula:
C18H21N5O2
Molecular Weight:
339.3916
IUPAC Name:
ethyl N-[5-amino-3-(2,4-dimethylphenyl)-1,2-dihydropyrido[3,4-b]pyrazin-7-yl]carbamate
InChI:
InChI=1S/C18H21N5O2/c1-4-25-18(24)23-15-8-13-16(17(19)22-15)21-14(9-20-13)12-6-5-10(2)7-11(12)3/h5-8,20H,4,9H2,1-3H3,(H3,19,22,23,24)
InChI Key:
NTKLGSCBWUFSAC-UHFFFAOYSA-N
SMILES:
CCOC(=O)Nc1cc2NCC(=Nc2c(n1)N)c1ccc(cc1C)C
NSC Number:
347218
Properties
Complexity:
512
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
339.17g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
339.399g/mol
Monoisotopic Mass:
339.17g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
Literature
| Title | Journal |
|---|---|
| Antimycobacterial activity of 1-deaza-7,8-dihydropteridine derivatives against Mycobacterium tuberculosis and Mycobacterium avium complex in vitro. | The Journal of antimicrobial chemotherapy 20010401 |
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