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Chemical ID: 5909102
Chemical ID:
5909102
Name [?]:
4-butyl-N-[(2-furylmethyl-phenethyl-carbamoyl)methyl]-N-sec-butyl-benzamide
SMILES [?]:
CCCCc1ccc(cc1)C(=O)N(CC(=O)N(CCc2ccccc2)Cc3ccco3)C(C)CC
InChi [?]:
InChI=1/C30H38N2O3/c1-4-6-11-26-15-17-27(18-16-26)30(34)32(24(3)5-2)23-29(33)31(22-28-14-10-21-35-28)20-19-25-12-8-7-9-13-25/h7-10,12-18,21,24H,4-6,11,19-20,22-23H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,35,33,2,34,3,23,22,24,29,4,21,25,28,6,10,7,9,19,18,30,26,14,32,20,5,8,27,15,11,17,13,16,12,31/E:(8,9)(12,13)(15,16)(17,18)/rA:35cCCCCCCCCCCCONCCONCCCCCCCCCCCCCOCCCC/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s8;d11;s11;s13;s14;d15;s15;s17;s18;s19;s20;d21;s22;d23;d20s24;s17;s26;d27;s28;d29;s27s30;s13;s32;s32;s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C30H38N2O3 |
All Atoms: | 35 |
Heavy Atoms: | 35 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 13.9633 |
Area: | 709.849 |
Solvation: | -3.78296 |
Coulombic: | -44.6671 |
Bond Count [?]
All: | 37 |
Single: | 27 |
Double: | 10 |
Rotors: | 15 |
Chiral: | 0 |
Rigid Segments: | 11 |
Chemical Properties
Molecular Weight: | 474.634 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 6.44 |
LogP (Chemaxon): | 5.99 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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