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1005342-78-8 | 1-Pyrrolidinecarboxylic acid, 2-[4-(4-fluorobenzoyl)-2-thiazolyl]-, 1,1-dimethylethyl ester, (2S)-
CAS No: 1005342-78-8 Catalog No: AG00029I MDL No:
Product Description
Catalog Number:
AG00029I
Chemical Name:
1-Pyrrolidinecarboxylic acid, 2-[4-(4-fluorobenzoyl)-2-thiazolyl]-, 1,1-dimethylethyl ester, (2S)-
CAS Number:
1005342-78-8
Molecular Formula:
C19H21FN2O3S
Molecular Weight:
376.4450
IUPAC Name:
tert-butyl (2S)-2-[4-(4-fluorobenzoyl)-1,3-thiazol-2-yl]pyrrolidine-1-carboxylate
InChI:
InChI=1S/C19H21FN2O3S/c1-19(2,3)25-18(24)22-10-4-5-15(22)17-21-14(11-26-17)16(23)12-6-8-13(20)9-7-12/h6-9,11,15H,4-5,10H2,1-3H3/t15-/m0/s1
InChI Key:
PVOHSQPFZJFQJI-HNNXBMFYSA-N
SMILES:
Fc1ccc(cc1)C(=O)c1csc(n1)[C@@H]1CCCN1C(=O)OC(C)(C)C
Properties
Complexity:
531
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
376.126g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
376.446g/mol
Monoisotopic Mass:
376.126g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
87.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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