Chemical ID: 7061969

CCCOC(=O)c1ccc(cc1)NC(=O)c2ccc(o2)c3ccccc3Cl
Chemical ID:
7061969
Name [?]:
propyl 4-[[5-(2-chlorophenyl)-2-furyl]carbonylamino]benzoate
SMILES [?]:
CCCOC(=O)c1ccc(cc1)NC(=O)c2ccc(o2)c3ccccc3Cl
InChi [?]:
InChI=1/C21H18ClNO4/c1-2-13-26-21(25)14-7-9-15(10-8-14)23-20(24)19-12-11-18(27-19)16-5-3-4-6-17(16)22/h3-12H,2,13H2,1H3,(H,23,24)
InChi Info:
AuxInfo=1/1/N:1,2,23,24,22,25,8,12,9,11,18,17,3,7,10,21,26,19,16,14,5,27,13,15,6,4,20/E:(7,8)(9,10)/rA:27nCCCOCOCCCCCCNCOCCCCOCCCCCCCl/rB:s1;s2;s3;s4;d5;s5;s7;d8;s9;d10;d7s11;s10;s13;d14;s14;d16;s17;d18;s16s19;s19;s21;d22;s23;d24;d21s25;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H18ClNO4
All Atoms:45
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:12.5461
Area:622.936
Solvation:-3.02732
Coulombic:-52.9426
Bond Count [?]
All:29
Single:19
Double:10
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:383.825
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.99
LogP (Chemaxon):4.38

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