Chemical ID: 6877372

Cc1ccc(cc1)c2csc(n2)NC(=O)C=Cc3ccc(c(c3)OC)OC(C)C
Chemical ID:
6877372
Name [?]:
3-(4-isopropoxy-3-methoxy-phenyl)-N-[4-(p-tolyl)thiazol-2-yl]-prop-2-enamide
SMILES [?]:
Cc1ccc(cc1)c2csc(n2)NC(=O)C=Cc3ccc(c(c3)OC)OC(C)C
InChi [?]:
InChI=1/C23H24N2O3S/c1-15(2)28-20-11-7-17(13-21(20)27-4)8-12-22(26)25-23-24-19(14-29-23)18-9-5-16(3)6-10-18/h5-15H,1-4H3,(H,24,25,26)
InChi Info:
AuxInfo=1/1/N:28,29,1,25,3,7,19,17,4,6,20,16,23,9,27,2,18,5,8,21,22,14,11,12,13,15,24,26,10/E:(1,2)(5,6)(9,10)/rA:29nCCCCCCCCCSCNNCOCCCCCCCCOCOCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s9;s10;s8d11;s11;s13;d14;s14;w16;s17;s18;d19;s20;d21;d18s22;s22;s24;s21;s26;s27;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H24N2O3S
All Atoms:53
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:10.1223
Area:643.975
Solvation:-5.97709
Coulombic:-42.3686
Bond Count [?]
All:31
Single:21
Double:10
Rotors:8
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:408.514
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.98
LogP (Chemaxon):5.75

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Descriptor Annotations

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