Chemical ID: 6877362

CC(C)Oc1ccc(cc1OC)C=CC(=O)Nc2cccc(c2)Br
Chemical ID:
6877362
Name [?]:
N-(3-bromophenyl)-3-(4-isopropoxy-3-methoxy-phenyl)-prop-2-enamide
SMILES [?]:
CC(C)Oc1ccc(cc1OC)C=CC(=O)Nc2cccc(c2)Br
InChi [?]:
InChI=1/C19H20BrNO3/c1-13(2)24-17-9-7-14(11-18(17)23-3)8-10-19(22)21-16-6-4-5-15(20)12-16/h4-13H,1-3H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,3,12,20,21,19,7,13,6,14,9,23,2,8,22,18,5,10,15,24,17,16,11,4/E:(1,2)/rA:24nCCCOCCCCCCOCCCCONCCCCCCBr/rB:s1;s2;s2;s4;s5;d6;s7;d8;d5s9;s10;s11;s8;w13;s14;d15;s15;s17;s18;d19;s20;d21;d18s22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H20BrNO3
All Atoms:44
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:8.56866
Area:555.112
Solvation:-5.30913
Coulombic:-36.2492
Bond Count [?]
All:25
Single:17
Double:8
Rotors:7
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:390.271
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.51
LogP (Chemaxon):4.73

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