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Chemical ID: 7061969
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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