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180793-94-6 | 1,3,4-Thiadiazol-2-amine, N-(4-iodophenyl)-5-[2-(10H-phenothiazin-10-yl)ethyl]-
CAS No: 180793-94-6 Catalog No: AG0022CK MDL No:
Product Description
Catalog Number:
AG0022CK
Chemical Name:
1,3,4-Thiadiazol-2-amine, N-(4-iodophenyl)-5-[2-(10H-phenothiazin-10-yl)ethyl]-
CAS Number:
180793-94-6
Molecular Formula:
C22H17IN4S2
Molecular Weight:
528.4316
IUPAC Name:
N-(4-iodophenyl)-5-(2-phenothiazin-10-ylethyl)-1,3,4-thiadiazol-2-amine
InChI:
InChI=1S/C22H17IN4S2/c23-15-9-11-16(12-10-15)24-22-26-25-21(29-22)13-14-27-17-5-1-3-7-19(17)28-20-8-4-2-6-18(20)27/h1-12H,13-14H2,(H,24,26)
InChI Key:
NMCYQWYMASWXRJ-UHFFFAOYSA-N
SMILES:
Ic1ccc(cc1)Nc1nnc(s1)CCN1c2ccccc2Sc2c1cccc2
Properties
Complexity:
511
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
527.994g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
528.43g/mol
Monoisotopic Mass:
527.994g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
94.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.7
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