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1105190-90-6 | (5-OXO-2,3,6,7,8,9-HEXAHYDRO-5H-[1,3]THIAZOLO[2,3-B]QUINAZOLIN-3-YL)ACETI+
CAS No: 1105190-90-6 Catalog No: AG01ARKG MDL No:MFCD11518878
Product Description
Catalog Number:
AG01ARKG
Chemical Name:
(5-OXO-2,3,6,7,8,9-HEXAHYDRO-5H-[1,3]THIAZOLO[2,3-B]QUINAZOLIN-3-YL)ACETI+
CAS Number:
1105190-90-6
Molecular Formula:
C12H14N2O3S
Molecular Weight:
266.3162
MDL Number:
MFCD11518878
IUPAC Name:
2-(5-oxo-2,3,6,7,8,9-hexahydro-[1,3]thiazolo[2,3-b]quinazolin-3-yl)acetic acid
InChI:
InChI=1S/C12H14N2O3S/c15-10(16)5-7-6-18-12-13-9-4-2-1-3-8(9)11(17)14(7)12/h7H,1-6H2,(H,15,16)
InChI Key:
WKBCPRLIIIVMBL-UHFFFAOYSA-N
SMILES:
OC(=O)CC1CSc2n1c(=O)c1c(n2)CCCC1
Properties
Complexity:
484
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.073g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
266.315g/mol
Monoisotopic Mass:
266.073g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
95.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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