Chemical ID: 6467470

C=CCn1cc(c2c1cccc2)C=C3C(=O)N(C(=Nc4ccccc4)S3)c5ccccc5
Chemical ID:
6467470
Name [?]:
5-[(1-allylindol-3-yl)methylene]-3-phenyl-2-phenylimino-thiazolidin-4-one
SMILES [?]:
C=CCn1cc(c2c1cccc2)C=C3C(=O)N(C(=Nc4ccccc4)S3)c5ccccc5
InChi [?]:
InChI=1/C27H21N3OS/c1-2-17-29-19-20(23-15-9-10-16-24(23)29)18-25-26(31)30(22-13-7-4-8-14-22)27(32-25)28-21-11-5-3-6-12-21/h2-16,18-19H,1,17H2
InChi Info:
AuxInfo=1/0/N:1,2,23,30,22,24,29,31,11,10,21,25,28,32,12,9,3,13,5,6,20,27,7,8,14,15,18,19,4,17,16,26/E:(5,6)(7,8)(11,12)(13,14)/rA:32nCCCNCCCCCCCCCCCONCNCCCCCCSCCCCCC/rB:d1;s2;s3;s4;d5;s6;s4s7;d8;s9;d10;d7s11;s6;w13;s14;d15;s15;s17;w18;s19;s20;d21;s22;d23;d20s24;s14s18;s17;s27;d28;s29;d30;d27s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C27H21N3OS
All Atoms:32
Heavy Atoms:32
Chiral Atoms:0
ZAP Information [?]
Total:12.4343
Area:608.827
Solvation:-2.78636
Coulombic:-34.1366
Bond Count [?]
All:36
Single:22
Double:14
Rotors:5
Chiral:2
Rigid Segments:5
Chemical Properties
Molecular Weight:435.541
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:5.79
LogP (Chemaxon):7.67

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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