Chemical ID: 6623534

c1cc(sc1)C(C#N)Nc2ccc(cc2)NC(C#N)c3cccs3
Chemical ID:
6623534
Name [?]:
2-[4-[cyano-(2-thienyl)methyl]aminophenyl]amino-2-(2-thienyl)acetonitrile
SMILES [?]:
c1cc(sc1)C(C#N)Nc2ccc(cc2)NC(C#N)c3cccs3
InChi [?]:
InChI=1/C18H14N4S2/c19-11-15(17-3-1-9-23-17)21-13-5-7-14(8-6-13)22-16(12-20)18-4-2-10-24-18/h1-10,15-16,21-22H
InChi Info:
AuxInfo=1/0/N:1,22,2,21,11,15,12,14,5,23,7,18,10,13,6,17,3,20,8,19,9,16,4,24/E:(1,2)(3,4)(5,6,7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)(21,22)(23,24)/rA:24cCCCSCCCNNCCCCCCNCCNCCCCS/rB:s1;d2;s3;d1s4;s3;s6;t7;s6;s9;s10;d11;s12;d13;d10s14;s13;s16;s17;t18;s17;d20;s21;d22;s20s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H14N4S2
All Atoms:24
Heavy Atoms:24
Chiral Atoms:2
ZAP Information [?]
Total:11.4854
Area:590.301
Solvation:-3.27213
Coulombic:-32.7936
Bond Count [?]
All:26
Single:17
Double:7
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:350.463
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:1.15
LogP (Chemaxon):3.73

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Descriptor Annotations

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