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Chemical ID: 6467470
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
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
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