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Chemical ID: 7142977
Chemical ID:
7142977
Name [?]:
5-[[2-[(4-chlorophenyl)methoxy]phenyl]methylene]-2-(2-ethylphenyl)amino-thiazol-4-one
SMILES [?]:
CCc1ccccc1NC2=NC(=O)C(=Cc3ccccc3OCc4ccc(cc4)Cl)S2
InChi [?]:
InChI=1/C25H21ClN2O2S/c1-2-18-7-3-5-9-21(18)27-25-28-24(29)23(31-25)15-19-8-4-6-10-22(19)30-16-17-11-13-20(26)14-12-17/h3-15H,2,16H2,1H3,(H,27,28,29)
InChi Info:
AuxInfo=1/1/N:1,2,5,18,6,19,4,17,7,20,25,29,26,28,15,23,24,3,16,27,8,21,14,12,10,30,9,11,13,22,31/E:(11,12)(13,14)/rA:31nCCCCCCCCNCNCOCCCCCCCCOCCCCCCCClS/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s11;d12;s12;w14;s15;s16;d17;s18;d19;d16s20;s21;s22;s23;s24;d25;s26;d27;d24s28;s27;s10s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H21ClN2O2S |
All Atoms: | 52 |
Heavy Atoms: | 31 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 14.1204 |
Area: | 695.262 |
Solvation: | -3.26117 |
Coulombic: | -40.428 |
Bond Count [?]
All: | 34 |
Single: | 22 |
Double: | 12 |
Rotors: | 7 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 6.29 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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