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Chemical ID: 7061860
Chemical ID:
7061860
Name [?]:
cyclohexyl 2-[[5-(2-chloro-4-nitro-phenyl)-2-furyl]carbonylamino]benzoate
SMILES [?]:
c1ccc(c(c1)C(=O)OC2CCCCC2)NC(=O)c3ccc(o3)c4ccc(cc4Cl)[N+](=O)[O-]
InChi [?]:
InChI=1/C24H21ClN2O6/c25-19-14-15(27(30)31)10-11-17(19)21-12-13-22(33-21)23(28)26-20-9-5-4-8-18(20)24(29)32-16-6-2-1-3-7-16/h4-5,8-14,16H,1-3,6-7H2,(H,26,28)
InChi Info:
AuxInfo=1/1/N:13,12,14,1,2,11,15,6,3,26,25,21,20,28,27,10,24,5,29,4,22,19,17,7,30,16,31,18,8,32,33,9,23/E:(2,3)(6,7)(30,31)/CRV:27.5/rA:33nCCCCCCCOOCCCCCCNCOCCCCOCCCCCCClN+OO-/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s9;s10;s11;s12;s13;s10s14;s4;s16;d17;s17;d19;s20;d21;s19s22;s22;s24;d25;s26;d27;d24s28;s29;s27;d31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H21ClN2O6 |
All Atoms: | 54 |
Heavy Atoms: | 33 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.47796 |
Area: | 685.657 |
Solvation: | -8.66346 |
Coulombic: | -63.185 |
Bond Count [?]
All: | 36 |
Single: | 25 |
Double: | 11 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 468.886 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 7 |
XLogP: | 6.23 |
LogP (Chemaxon): | 5.75 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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Experimental Annotations
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Descriptor Annotations
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