Chemical ID: 6877355

CCCOC(=O)c1cccc(c1)NC(=O)C=Cc2ccc(c(c2)OC)OC(C)C
Chemical ID:
6877355
Name [?]:
propyl 3-[3-(4-isopropoxy-3-methoxy-phenyl)prop-2-enoylamino]benzoate
SMILES [?]:
CCCOC(=O)c1cccc(c1)NC(=O)C=Cc2ccc(c(c2)OC)OC(C)C
InChi [?]:
InChI=1/C23H27NO5/c1-5-13-28-23(26)18-7-6-8-19(15-18)24-22(25)12-10-17-9-11-20(29-16(2)3)21(14-17)27-4/h6-12,14-16H,5,13H2,1-4H3,(H,24,25)
InChi Info:
AuxInfo=1/1/N:1,28,29,25,2,9,8,10,19,17,20,16,3,23,12,27,18,7,11,21,22,14,5,13,15,6,24,4,26/E:(2,3)/rA:29nCCCOCOCCCCCCNCOCCCCCCCCOCOCCC/rB:s1;s2;s3;s4;d5;s5;s7;d8;s9;d10;d7s11;s11;s13;d14;s14;w16;s17;s18;d19;s20;d21;d18s22;s22;s24;s21;s26;s27;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H27NO5
All Atoms:56
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:10.0633
Area:656.844
Solvation:-6.35784
Coulombic:-55.891
Bond Count [?]
All:30
Single:21
Double:9
Rotors:11
Chiral:1
Rigid Segments:9
Chemical Properties
Molecular Weight:397.464
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:4.43
LogP (Chemaxon):4.3

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Descriptor Annotations

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