Chemical ID: 6649243

c1ccc(cc1)c2ccc(cc2)C=CC(=O)Nc3ccc4c(c3)OCCO4
Chemical ID:
6649243
Name [?]:
N-(2,5-dioxabicyclo[4.4.0]deca-7,9,11-trien-8-yl)-3-(4-phenylphenyl)-prop-2-enamide
SMILES [?]:
c1ccc(cc1)c2ccc(cc2)C=CC(=O)Nc3ccc4c(c3)OCCO4
InChi [?]:
InChI=1/C23H19NO3/c25-23(24-20-11-12-21-22(16-20)27-15-14-26-21)13-8-17-6-9-19(10-7-17)18-4-2-1-3-5-18/h1-13,16H,14-15H2,(H,24,25)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,9,11,13,8,12,19,20,14,26,25,23,10,4,7,18,21,22,15,17,16,27,24/E:(2,3)(4,5)(6,7)(9,10)/rA:27nCCCCCCCCCCCCCCCONCCCCCCOCCO/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;d10;d7s11;s10;w13;s14;d15;s15;s17;s18;d19;s20;d21;d18s22;s22;s24;s25;s21s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H19NO3
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:10.0681
Area:569.508
Solvation:-4.1696
Coulombic:-39.6507
Bond Count [?]
All:30
Single:19
Double:11
Rotors:5
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:357.402
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.82
LogP (Chemaxon):4.69

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