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Chemical ID: 4149537
Chemical ID:
4149537
Name [?]:
3-(4-chlorophenyl)-N-(4-phenylthiazol-2-yl)-prop-2-enamide
SMILES [?]:
c1ccc(cc1)c2csc(n2)NC(=O)C=Cc3ccc(cc3)Cl
InChi [?]:
InChI=1/C18H13ClN2OS/c19-15-9-6-13(7-10-15)8-11-17(22)21-18-20-16(12-23-18)14-4-2-1-3-5-14/h1-12H,(H,20,21,22)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,18,22,16,19,21,15,8,17,4,20,7,13,10,23,11,12,14,9/E:(2,3)(4,5)(6,7)(9,10)/rA:23nCCCCCCCCSCNNCOCCCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s4;d7;s8;s9;s7d10;s10;s12;d13;s13;w15;s16;s17;d18;s19;d20;d17s21;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H13ClN2OS |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.7542 |
Area: | 537.543 |
Solvation: | -2.68435 |
Coulombic: | -29.7627 |
Bond Count [?]
All: | 25 |
Single: | 15 |
Double: | 10 |
Rotors: | 5 |
Chiral: | 1 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 340.827 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.72 |
LogP (Chemaxon): | 5.55 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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