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Chemical ID: 6016917
Chemical ID:
6016917
Name [?]:
N-[[(4-fluorophenyl)methyl-(2-furylmethyl)carbamoyl]methyl]-N-isopropyl-4-phenyl-benzamide
SMILES [?]:
CC(C)N(CC(=O)N(Cc1ccc(cc1)F)Cc2ccco2)C(=O)c3ccc(cc3)c4ccccc4
InChi [?]:
InChI=1/C30H29FN2O3/c1-22(2)33(30(35)26-14-12-25(13-15-26)24-7-4-3-5-8-24)21-29(34)32(20-28-9-6-18-36-28)19-23-10-16-27(31)17-11-23/h3-18,22H,19-21H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,34,33,35,20,32,36,19,11,15,27,29,26,30,12,14,21,9,17,5,2,10,31,28,25,13,18,6,23,16,8,4,7,24,22/E:(1,2)(4,5)(7,8)(10,11)(12,13)(14,15)(16,17)/rA:36nCCCNCCONCCCCCCCFCCCCCOCOCCCCCCCCCCCC/rB:s1;s2;s2;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;s28;s31;d32;s33;d34;d31s35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C30H29FN2O3 |
All Atoms: | 36 |
Heavy Atoms: | 36 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.8036 |
Area: | 680.481 |
Solvation: | -5.20839 |
Coulombic: | -48.0673 |
Bond Count [?]
All: | 39 |
Single: | 26 |
Double: | 13 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 484.561 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 5.98 |
LogP (Chemaxon): | 5.44 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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