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72083-45-5 | ETHYL 2-(BENZOYLAMINO)-4-METHYL-4H-PYRROLO[3,2-D][1,3]THIAZOLE-5-CARBOXYLATE
CAS No: 72083-45-5 Catalog No: AG005DAD MDL No:
Product Description
Catalog Number:
AG005DAD
Chemical Name:
ETHYL 2-(BENZOYLAMINO)-4-METHYL-4H-PYRROLO[3,2-D][1,3]THIAZOLE-5-CARBOXYLATE
CAS Number:
72083-45-5
Molecular Formula:
C16H15N3O3S
Molecular Weight:
329.3736
IUPAC Name:
ethyl 2-benzamido-4-methylpyrrolo[3,2-d][1,3]thiazole-5-carboxylate
InChI:
InChI=1S/C16H15N3O3S/c1-3-22-15(21)12-9-11-14(19(12)2)23-16(17-11)18-13(20)10-7-5-4-6-8-10/h4-9H,3H2,1-2H3,(H,17,18,20)
InChI Key:
QZVGBIQXJGHIEN-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cc2c(n1C)sc(n2)NC(=O)c1ccccc1
UNII:
FM6KN6CSI6
NSC Number:
354209
Properties
Complexity:
456
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
329.083g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
329.374g/mol
Monoisotopic Mass:
329.083g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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