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Chemical ID: 5909645
Chemical ID:
5909645
Name [?]:
2-[allyl-[2-(4-chlorophenoxy)acetyl]-amino]-N-benzyl-N-(2-furylmethyl)acetamide
SMILES [?]:
C=CCN(CC(=O)N(Cc1ccccc1)Cc2ccco2)C(=O)COc3ccc(cc3)Cl
InChi [?]:
InChI=1/C25H25ClN2O4/c1-2-14-27(25(30)19-32-22-12-10-21(26)11-13-22)18-24(29)28(17-23-9-6-15-31-23)16-20-7-4-3-5-8-20/h2-13,15H,1,14,16-19H2
InChi Info:
AuxInfo=1/0/N:1,2,13,12,14,19,11,15,18,28,30,27,31,3,20,9,16,5,24,10,29,26,17,6,22,32,4,8,7,23,21,25/E:(4,5)(7,8)(10,11)(12,13)/rA:32nCCCNCCONCCCCCCCCCCCCOCOCOCCCCCCCl/rB:d1;s2;s3;s4;s5;d6;s6;s8;s9;s10;d11;s12;d13;d10s14;s8;s16;d17;s18;d19;s17s20;s4;d22;s22;s24;s25;s26;d27;s28;d29;d26s30;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H25ClN2O4 |
All Atoms: | 32 |
Heavy Atoms: | 32 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.2168 |
Area: | 703.419 |
Solvation: | -6.3687 |
Coulombic: | -50.4725 |
Bond Count [?]
All: | 34 |
Single: | 23 |
Double: | 11 |
Rotors: | 13 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 452.93 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 3.92 |
LogP (Chemaxon): | 3.89 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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