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1260895-10-0 | 1-Pyrrolidinecarboxylic acid, 2-(5-bromo-2-chlorophenyl)-, 1,1-dimethylethyl ester
CAS No: 1260895-10-0 Catalog No: AG000RKP MDL No:
Product Description
Catalog Number:
AG000RKP
Chemical Name:
1-Pyrrolidinecarboxylic acid, 2-(5-bromo-2-chlorophenyl)-, 1,1-dimethylethyl ester
CAS Number:
1260895-10-0
Molecular Formula:
C15H19BrClNO2
Molecular Weight:
360.6739
IUPAC Name:
1-(6-morpholin-4-ylpyrimidin-4-yl)-3-phenylurea
InChI:
InChI=1S/C15H17N5O2/c21-15(18-12-4-2-1-3-5-12)19-13-10-14(17-11-16-13)20-6-8-22-9-7-20/h1-5,10-11H,6-9H2,(H2,16,17,18,19,21)
InChI Key:
NGQQKTSBZUAUOR-UHFFFAOYSA-N
SMILES:
Brc1ccc(c(c1)C1CCCN1C(=O)OC(C)(C)C)Cl
Properties
Complexity:
356
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
299.138g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
299.334g/mol
Monoisotopic Mass:
299.138g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
79.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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