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1141395-04-1 | 1-Piperazinecarboxylic acid, 4-[4-[[(2,3-dihydro-2-oxo-6-benzoxazolyl)amino]carbonyl]-2-thiazolyl]-, (3,5-dichlorophenyl)methyl ester
CAS No: 1141395-04-1 Catalog No: AG000AND MDL No:MFCD22419413
Product Description
Catalog Number:
AG000AND
Chemical Name:
1-Piperazinecarboxylic acid, 4-[4-[[(2,3-dihydro-2-oxo-6-benzoxazolyl)amino]carbonyl]-2-thiazolyl]-, (3,5-dichlorophenyl)methyl ester
CAS Number:
1141395-04-1
Molecular Formula:
C23H19Cl2N5O5S
Molecular Weight:
548.3985
MDL Number:
MFCD22419413
IUPAC Name:
(3,5-dichlorophenyl)methyl 4-[4-[(2-oxo-3H-1,3-benzoxazol-6-yl)carbamoyl]-1,3-thiazol-2-yl]piperazine-1-carboxylate
InChI:
InChI=1S/C23H19Cl2N5O5S/c24-14-7-13(8-15(25)9-14)11-34-23(33)30-5-3-29(4-6-30)21-27-18(12-36-21)20(31)26-16-1-2-17-19(10-16)35-22(32)28-17/h1-2,7-10,12H,3-6,11H2,(H,26,31)(H,28,32)
InChI Key:
ZMLRSVUKWQUIEM-UHFFFAOYSA-N
SMILES:
Clc1cc(COC(=O)N2CCN(CC2)c2scc(n2)C(=O)Nc2ccc3c(c2)oc(=O)[nH]3)cc(c1)Cl
Properties
Complexity:
825
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
547.048g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
548.395g/mol
Monoisotopic Mass:
547.048g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
141A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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