Chemical ID: 6459983

CCc1cccc2c1[nH]cc2C=C3C(=O)N(C(=Nc4ccc(cc4)C)S3)C
Chemical ID:
6459983
Name [?]:
5-[(7-ethyl-1H-indol-3-yl)methylene]-3-methyl-2-(p-tolylimino)thiazolidin-4-one
SMILES [?]:
CCc1cccc2c1[nH]cc2C=C3C(=O)N(C(=Nc4ccc(cc4)C)S3)C
InChi [?]:
InChI=1/C22H21N3OS/c1-4-15-6-5-7-18-16(13-23-20(15)18)12-19-21(26)25(3)22(27-19)24-17-10-8-14(2)9-11-17/h5-13,23H,4H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,25,27,2,5,4,6,21,23,20,24,12,10,22,3,11,19,7,13,8,14,17,9,18,16,15,26/E:(8,9)(10,11)/rA:27nCCCCCCCCNCCCCCONCNCCCCCCCSC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s7d10;s11;w12;s13;d14;s14;s16;w17;s18;s19;d20;s21;d22;d19s23;s22;s13s17;s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H21N3OS
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:12.28
Area:580.699
Solvation:-2.2375
Coulombic:-36.804
Bond Count [?]
All:30
Single:20
Double:10
Rotors:3
Chiral:2
Rigid Segments:4
Chemical Properties
Molecular Weight:375.488
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:4.43
LogP (Chemaxon):6.33

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Descriptor Annotations

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