Chemical ID: 6900523

CCCCCCOc1ccc(cc1)C(=O)OC(C)C(=O)Nc2ccc(cc2)Cl
Chemical ID:
6900523
Name [?]:
1-[(4-chlorophenyl)carbamoyl]ethyl 4-hexoxybenzoate
SMILES [?]:
CCCCCCOc1ccc(cc1)C(=O)OC(C)C(=O)Nc2ccc(cc2)Cl
InChi [?]:
InChI=1/C22H26ClNO4/c1-3-4-5-6-15-27-20-13-7-17(8-14-20)22(26)28-16(2)21(25)24-19-11-9-18(23)10-12-19/h7-14,16H,3-6,15H2,1-2H3,(H,24,25)
InChi Info:
AuxInfo=1/1/N:1,18,2,3,4,5,10,12,24,26,23,27,9,13,6,17,11,25,22,8,19,14,28,21,20,15,7,16/E:(7,8)(9,10)(11,12)(13,14)/rA:28cCCCCCCOCCCCCCCOOCCCONCCCCCCCl/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s10;d11;d8s12;s11;d14;s14;s16;s17;s17;d19;s19;s21;s22;d23;s24;d25;d22s26;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H26ClNO4
All Atoms:54
Heavy Atoms:28
Chiral Atoms:1
ZAP Information [?]
Total:13.1022
Area:688.799
Solvation:-4.11776
Coulombic:-50.9201
Bond Count [?]
All:29
Single:21
Double:8
Rotors:12
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:403.899
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:6.25
LogP (Chemaxon):5.48

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