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805323-90-4 | 4(1H)-Quinazolinone, 2,3-dihydro-3-(1-oxotetradecyl)-2-thioxo-
CAS No: 805323-90-4 Catalog No: AG005KN0 MDL No:
Product Description
Catalog Number:
AG005KN0
Chemical Name:
4(1H)-Quinazolinone, 2,3-dihydro-3-(1-oxotetradecyl)-2-thioxo-
CAS Number:
805323-90-4
Molecular Formula:
C22H32N2O2S
Molecular Weight:
388.5667
IUPAC Name:
2-sulfanylidene-3-tetradecanoyl-1H-quinazolin-4-one
InChI:
InChI=1S/C22H32N2O2S/c1-2-3-4-5-6-7-8-9-10-11-12-17-20(25)24-21(26)18-15-13-14-16-19(18)23-22(24)27/h13-16H,2-12,17H2,1H3,(H,23,27)
InChI Key:
DDOAVRHQRXTXPX-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCC(=O)n1c(=S)[nH]c2c(c1=O)cccc2
Properties
Complexity:
495
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
388.218g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
388.57g/mol
Monoisotopic Mass:
388.218g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
81.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.3
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