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Chemical ID: 6016846
Chemical ID:
6016846
Name [?]:
N-[(benzo[1,3]dioxol-5-ylmethyl-(2-furylmethyl)carbamoyl)methyl]-N-propyl-4-(trifluoromethyl)benzamide
SMILES [?]:
CCCN(CC(=O)N(Cc1ccc2c(c1)OCO2)Cc3ccco3)C(=O)c4ccc(cc4)C(F)(F)F
InChi [?]:
InChI=1/C26H25F3N2O5/c1-2-11-30(25(33)19-6-8-20(9-7-19)26(27,28)29)16-24(32)31(15-21-4-3-12-34-21)14-18-5-10-22-23(13-18)36-17-35-22/h3-10,12-13H,2,11,14-17H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,22,21,11,28,32,29,31,12,3,23,15,9,19,5,17,10,27,30,20,13,14,6,25,33,34,35,36,4,8,7,26,24,18,16/E:(6,7)(8,9)(27,28,29)/rA:36nCCCNCCONCCCCCCCOCOCCCCCOCOCCCCCCCFFF/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;s10;d11;s12;d13;d10s14;s14;s16;s13s17;s8;s19;d20;s21;d22;s20s23;s4;d25;s25;s27;d28;s29;d30;d27s31;s30;s33;s33;s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H25F3N2O5 |
All Atoms: | 36 |
Heavy Atoms: | 36 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.4455 |
Area: | 677.252 |
Solvation: | -6.48582 |
Coulombic: | -76.5848 |
Bond Count [?]
All: | 39 |
Single: | 29 |
Double: | 10 |
Rotors: | 12 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 502.482 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 6 |
XLogP: | 4.46 |
LogP (Chemaxon): | 4.24 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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