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Chemical ID: 6473521
Chemical ID:
6473521
Name [?]:
2-(2,4-dimethylphenyl)imino-5-[(2-propoxy-1-naphthyl)methylene]thiazolidin-4-one
SMILES [?]:
CCCOc1ccc2ccccc2c1C=C3C(=O)NC(=Nc4ccc(cc4C)C)S3
InChi [?]:
InChI=1/C25H24N2O2S/c1-4-13-29-22-12-10-18-7-5-6-8-19(18)20(22)15-23-24(28)27-25(30-23)26-21-11-9-16(2)14-17(21)3/h5-12,14-15H,4,13H2,1-3H3,(H,26,27,28)
InChi Info:
AuxInfo=1/1/N:1,29,28,2,10,11,9,12,24,7,23,6,3,26,15,25,27,8,13,14,22,5,16,17,20,21,19,18,4,30/rA:30nCCCOCCCCCCCCCCCCCONCNCCCCCCCCS/rB:s1;s2;s3;s4;s5;d6;s7;s8;d9;s10;d11;d8s12;d5s13;s14;w15;s16;d17;s17;s19;w20;s21;s22;d23;s24;d25;d22s26;s27;s25;s16s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H24N2O2S |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 13.0941 |
Area: | 640.849 |
Solvation: | -2.92716 |
Coulombic: | -37.8236 |
Bond Count [?]
All: | 33 |
Single: | 22 |
Double: | 11 |
Rotors: | 5 |
Chiral: | 2 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 416.536 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 5.72 |
LogP (Chemaxon): | 6.85 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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