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Chemical ID: 6468565
Chemical ID:
6468565
Name [?]:
5-[(2,4-dimethoxyphenyl)methylene]-2-phenylimino-3-propyl-thiazolidin-4-one
SMILES [?]:
CCCN1C(=O)C(=Cc2ccc(cc2OC)OC)SC1=Nc3ccccc3
InChi [?]:
InChI=1/C21H22N2O3S/c1-4-12-23-20(24)19(27-21(23)22-16-8-6-5-7-9-16)13-15-10-11-17(25-2)14-18(15)26-3/h5-11,13-14H,4,12H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,18,16,2,25,24,26,23,27,10,11,3,8,13,9,22,12,14,7,5,20,21,4,6,17,15,19/E:(6,7)(8,9)/rA:27nCCCNCOCCCCCCCCOCOCSCNCCCCCC/rB:s1;s2;s3;s4;d5;s5;w7;s8;s9;d10;s11;d12;d9s13;s14;s15;s12;s17;s7;s4s19;w20;s21;s22;d23;s24;d25;d22s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H22N2O3S |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.3927 |
Area: | 571.365 |
Solvation: | -3.8914 |
Coulombic: | -40.6232 |
Bond Count [?]
All: | 29 |
Single: | 20 |
Double: | 9 |
Rotors: | 6 |
Chiral: | 2 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 382.477 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 3.84 |
LogP (Chemaxon): | 4.9 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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