Chemical ID: 6473521

CCCOc1ccc2ccccc2c1C=C3C(=O)NC(=Nc4ccc(cc4C)C)S3
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

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Descriptor Annotations

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