Chemical ID: 6220081

CCOc1ccc(cc1)c2csc(n2)NC(=O)C=Cc3ccccc3Cl
Chemical ID:
6220081
Name [?]:
3-(2-chlorophenyl)-N-[4-(4-ethoxyphenyl)thiazol-2-yl]-prop-2-enamide
SMILES [?]:
CCOc1ccc(cc1)c2csc(n2)NC(=O)C=Cc3ccccc3Cl
InChi [?]:
InChI=1/C20H17ClN2O2S/c1-2-25-16-10-7-15(8-11-16)18-13-26-20(22-18)23-19(24)12-9-14-5-3-4-6-17(14)21/h3-13H,2H2,1H3,(H,22,23,24)
InChi Info:
AuxInfo=1/1/N:1,2,22,23,21,24,6,8,19,5,9,18,11,20,7,4,25,10,16,13,26,14,15,17,3,12/E:(7,8)(10,11)/rA:26nCCOCCCCCCCCSCNNCOCCCCCCCCCl/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;d10;s11;s12;s10d13;s13;s15;d16;s16;w18;s19;s20;d21;s22;d23;d20s24;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H17ClN2O2S
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:11.0319
Area:595.235
Solvation:-3.84893
Coulombic:-36.4331
Bond Count [?]
All:28
Single:18
Double:10
Rotors:7
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:384.88
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:5.06
LogP (Chemaxon):5.64

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Descriptor Annotations

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