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Chemical ID: 6014893
Chemical ID:
6014893
Name [?]:
N-[[(4-fluorophenyl)methyl-[(5-methyl-2-furyl)methyl]carbamoyl]methyl]-N-isobutyl-benzamide
SMILES [?]:
Cc1ccc(o1)CN(Cc2ccc(cc2)F)C(=O)CN(CC(C)C)C(=O)c3ccccc3
InChi [?]:
InChI=1/C26H29FN2O3/c1-19(2)15-29(26(31)22-7-5-4-6-8-22)18-25(30)28(17-24-14-9-20(3)32-24)16-21-10-12-23(27)13-11-21/h4-14,19H,15-18H2,1-3H3
InChi Info:
AuxInfo=1/0/N:23,24,1,30,29,31,28,32,3,11,15,12,14,4,21,9,7,19,22,2,10,27,13,5,17,25,16,8,20,18,26,6/E:(1,2)(5,6)(7,8)(10,11)(12,13)/rA:32nCCCCCOCNCCCCCCCFCOCNCCCCCOCCCCCC/rB:s1;d2;s3;d4;s2s5;s5;s7;s8;s9;s10;d11;s12;d13;d10s14;s13;s8;d17;s17;s19;s20;s21;s22;s22;s20;d25;s25;s27;d28;s29;d30;d27s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H29FN2O3 |
All Atoms: | 32 |
Heavy Atoms: | 32 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.6094 |
Area: | 667.968 |
Solvation: | -5.08981 |
Coulombic: | -46.7547 |
Bond Count [?]
All: | 34 |
Single: | 24 |
Double: | 10 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 436.519 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 4.47 |
LogP (Chemaxon): | 4.23 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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Chemical Mix | Source | External ID | Descriptor | Value |
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