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1160618-89-2 | Benzenecarbothioic acid, 2,4-dihydroxy-5-(1-methylethyl)-, 2-[[(1-methyl-1H-indol-5-yl)amino]carbonyl]hydrazide
CAS No: 1160618-89-2 Catalog No: AG000BJ4 MDL No:
Product Description
Catalog Number:
AG000BJ4
Chemical Name:
Benzenecarbothioic acid, 2,4-dihydroxy-5-(1-methylethyl)-, 2-[[(1-methyl-1H-indol-5-yl)amino]carbonyl]hydrazide
CAS Number:
1160618-89-2
Molecular Formula:
C20H22N4O3S
Molecular Weight:
398.4787
IUPAC Name:
1-[(2,4-dihydroxy-5-propan-2-ylbenzenecarbothioyl)amino]-3-(1-methylindol-5-yl)urea
InChI:
InChI=1S/C20H22N4O3S/c1-11(2)14-9-15(18(26)10-17(14)25)19(28)22-23-20(27)21-13-4-5-16-12(8-13)6-7-24(16)3/h4-11,25-26H,1-3H3,(H,22,28)(H2,21,23,27)
InChI Key:
SJNYYTPCHLNUHK-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccc2c(c1)ccn2C)NNC(=S)c1cc(C(C)C)c(cc1O)O
Properties
Complexity:
576
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
398.141g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
398.481g/mol
Monoisotopic Mass:
398.141g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
131A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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