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Chemical ID: 4136827
Chemical ID:
4136827
Name [?]:
2-(3-chlorophenoxy)-N-[[4-[(4-chlorophenyl)methoxy]-3-ethoxy-phenyl]methyleneamino]propanamide
SMILES [?]:
CCOc1cc(ccc1OCc2ccc(cc2)Cl)C=NNC(=O)C(C)Oc3cccc(c3)Cl
InChi [?]:
InChI=1/C25H24Cl2N2O4/c1-3-31-24-13-19(9-12-23(24)32-16-18-7-10-20(26)11-8-18)15-28-29-25(30)17(2)33-22-6-4-5-21(27)14-22/h4-15,17H,3,16H2,1-2H3,(H,29,30)
InChi Info:
AuxInfo=1/1/N:1,25,2,29,30,28,13,17,7,14,16,8,5,32,19,11,24,12,6,15,31,27,9,4,22,18,33,20,21,23,3,10,26/E:(7,8)(10,11)/rA:33cCCOCCCCCCOCCCCCCCClCNNCOCCOCCCCCCCl/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s11;s12;d13;s14;d15;d12s16;s15;s6;w19;s20;s21;d22;s22;s24;s24;s26;s27;d28;s29;d30;d27s31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H24Cl2N2O4 |
All Atoms: | 33 |
Heavy Atoms: | 33 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.2754 |
Area: | 757.152 |
Solvation: | -8.65342 |
Coulombic: | -42.6871 |
Bond Count [?]
All: | 35 |
Single: | 24 |
Double: | 11 |
Rotors: | 11 |
Chiral: | 1 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 487.375 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 7.14 |
LogP (Chemaxon): | 6.2 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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