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Chemical ID: 7061930
Chemical ID:
7061930
Name [?]:
propyl 4-[[5-(2,5-dichlorophenyl)-2-furyl]carbonylamino]benzoate
SMILES [?]:
CCCOC(=O)c1ccc(cc1)NC(=O)c2ccc(o2)c3cc(ccc3Cl)Cl
InChi [?]:
InChI=1/C21H17Cl2NO4/c1-2-11-27-21(26)13-3-6-15(7-4-13)24-20(25)19-10-9-18(28-19)16-12-14(22)5-8-17(16)23/h3-10,12H,2,11H2,1H3,(H,24,25)
InChi Info:
AuxInfo=1/1/N:1,2,8,12,24,9,11,25,18,17,3,22,7,23,10,21,26,19,16,14,5,28,27,13,15,6,4,20/E:(3,4)(6,7)/rA:28nCCCOCOCCCCCCNCOCCCCOCCCCCCClCl/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;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H17Cl2NO4 |
All Atoms: | 45 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 13.3686 |
Area: | 657.611 |
Solvation: | -3.07164 |
Coulombic: | -52.6646 |
Bond Count [?]
All: | 30 |
Single: | 20 |
Double: | 10 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 418.269 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 5.61 |
LogP (Chemaxon): | 4.89 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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