Chemical ID: 6147850

CCCOC(=O)c1cccc(c1)NC(=O)CCCOc2cc(c(c(c2)C)Cl)C
Chemical ID:
6147850
Name [?]:
propyl 3-[4-(4-chloro-3,5-dimethyl-phenoxy)butanoylamino]benzoate
SMILES [?]:
CCCOC(=O)c1cccc(c1)NC(=O)CCCOc2cc(c(c(c2)C)Cl)C
InChi [?]:
InChI=1/C22H26ClNO4/c1-4-10-28-22(26)17-7-5-8-18(14-17)24-20(25)9-6-11-27-19-12-15(2)21(23)16(3)13-19/h5,7-8,12-14H,4,6,9-11H2,1-3H3,(H,24,25)
InChi Info:
AuxInfo=1/1/N:1,26,28,2,9,17,8,10,16,3,18,25,21,12,24,22,7,11,20,14,23,5,27,13,15,6,19,4/E:(2,3)(12,13)(15,16)/rA:28nCCCOCOCCCCCCNCOCCCOCCCCCCCClC/rB:s1;s2;s3;s4;d5;s5;s7;d8;s9;d10;d7s11;s11;s13;d14;s14;s16;s17;s18;s19;s20;d21;s22;d23;d20s24;s24;s23;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H26ClNO4
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:12.3388
Area:673.901
Solvation:-4.50874
Coulombic:-48.0581
Bond Count [?]
All:29
Single:21
Double:8
Rotors:11
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:403.899
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:4.98
LogP (Chemaxon):5.12

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Descriptor Annotations

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