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294193-86-5 | 3-{2-[(1H-indol-3-yl)methylidene]hydrazin-1-yl}-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2,4,6-tetraene
CAS No: 294193-86-5 Catalog No: AG01C19Q MDL No:MFCD00380620
Product Description
Catalog Number:
AG01C19Q
Chemical Name:
3-{2-[(1H-indol-3-yl)methylidene]hydrazin-1-yl}-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2,4,6-tetraene
CAS Number:
294193-86-5
Molecular Formula:
C19H17N5S
Molecular Weight:
347.4368
MDL Number:
MFCD00380620
IUPAC Name:
N-(1H-indol-3-ylmethylideneamino)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine
InChI:
InChI=1S/C19H17N5S/c1-3-7-15-13(5-1)12(9-20-15)10-23-24-18-17-14-6-2-4-8-16(14)25-19(17)22-11-21-18/h1,3,5,7,9-11,20H,2,4,6,8H2,(H,21,22,24)
InChI Key:
AKDKHZVFMAWBFX-UHFFFAOYSA-N
SMILES:
N(=Cc1c[nH]c2c1cccc2)Nc1ncnc2c1c1CCCCc1s2
Properties
Complexity:
500
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
347.12g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
347.44g/mol
Monoisotopic Mass:
347.12g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
94.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.9
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