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Chemical ID: 6016999
Chemical ID:
6016999
Name [?]:
N-[[(4-fluorophenyl)methyl-(2-furylmethyl)carbamoyl]methyl]-N-propyl-benzamide
SMILES [?]:
CCCN(CC(=O)N(Cc1ccc(cc1)F)Cc2ccco2)C(=O)c3ccccc3
InChi [?]:
InChI=1/C24H25FN2O3/c1-2-14-26(24(29)20-7-4-3-5-8-20)18-23(28)27(17-22-9-6-15-30-22)16-19-10-12-21(25)13-11-19/h3-13,15H,2,14,16-18H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,28,27,29,20,26,30,19,11,15,12,14,3,21,9,17,5,10,25,13,18,6,23,16,4,8,7,24,22/E:(4,5)(7,8)(10,11)(12,13)/rA:30nCCCNCCONCCCCCCCFCCCCCOCOCCCCCC/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;s10;d11;s12;d13;d10s14;s13;s8;s17;d18;s19;d20;s18s21;s4;d23;s23;s25;d26;s27;d28;d25s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H25FN2O3 |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.1742 |
Area: | 606.061 |
Solvation: | -4.97731 |
Coulombic: | -46.8548 |
Bond Count [?]
All: | 32 |
Single: | 22 |
Double: | 10 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 408.465 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 3.94 |
LogP (Chemaxon): | 3.81 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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