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Chemical ID: 6014972
Chemical ID:
6014972
Name [?]:
N-[[(4-fluorophenyl)methyl-[(5-methyl-2-furyl)methyl]carbamoyl]methyl]-N-propyl-cyclohexanecarboxamide
SMILES [?]:
CCCN(CC(=O)N(Cc1ccc(cc1)F)Cc2ccc(o2)C)C(=O)C3CCCCC3
InChi [?]:
InChI=1/C25H33FN2O3/c1-3-15-27(25(30)21-7-5-4-6-8-21)18-24(29)28(17-23-14-9-19(2)31-23)16-20-10-12-22(26)13-11-20/h9-14,21H,3-8,15-18H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,23,2,29,28,30,27,31,20,11,15,12,14,19,3,9,17,5,21,10,26,13,18,6,24,16,4,8,7,25,22/E:(5,6)(7,8)(10,11)(12,13)/rA:31nCCCNCCONCCCCCCCFCCCCCOCCOCCCCCC/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;s10;d11;s12;d13;d10s14;s13;s8;s17;d18;s19;d20;s18s21;s21;s4;d24;s24;s26;s27;s28;s29;s26s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H33FN2O3 |
All Atoms: | 31 |
Heavy Atoms: | 31 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.6856 |
Area: | 631.646 |
Solvation: | -5.10553 |
Coulombic: | -44.3045 |
Bond Count [?]
All: | 33 |
Single: | 26 |
Double: | 7 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 428.54 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 4.37 |
LogP (Chemaxon): | 3.97 |
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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