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Chemical ID: 4136719
Chemical ID:
4136719
Name [?]:
N-[[4-[(4-chlorophenyl)methoxy]-3-ethoxy-phenyl]methyleneamino]-2-(4-fluorophenoxy)-acetamide
SMILES [?]:
CCOc1cc(ccc1OCc2ccc(cc2)Cl)C=NNC(=O)COc3ccc(cc3)F
InChi [?]:
InChI=1/C24H22ClFN2O4/c1-2-30-23-13-18(5-12-22(23)32-15-17-3-6-19(25)7-4-17)14-27-28-24(29)16-31-21-10-8-20(26)9-11-21/h3-14H,2,15-16H2,1H3,(H,28,29)
InChi Info:
AuxInfo=1/1/N:1,2,13,17,7,14,16,28,30,27,31,8,5,19,11,24,12,6,15,29,26,9,4,22,18,32,20,21,23,3,25,10/E:(3,4)(6,7)(8,9)(10,11)/rA:32nCCOCCCCCCOCCCCCCCClCNNCOCOCCCCCCF/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;s25;s26;d27;s28;d29;d26s30;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H22ClFN2O4 |
All Atoms: | 32 |
Heavy Atoms: | 32 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.86306 |
Area: | 722.576 |
Solvation: | -10.2013 |
Coulombic: | -43.9964 |
Bond Count [?]
All: | 34 |
Single: | 23 |
Double: | 11 |
Rotors: | 11 |
Chiral: | 1 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 456.894 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 6.15 |
LogP (Chemaxon): | 5.29 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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