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Chemical ID: 6014333
Chemical ID:
6014333
Name [?]:
N-[(benzyl-(2-furylmethyl)carbamoyl)methyl]-N-isopropyl-benzamide
SMILES [?]:
CC(C)N(CC(=O)N(Cc1ccccc1)Cc2ccco2)C(=O)c3ccccc3
InChi [?]:
InChI=1/C24H26N2O3/c1-19(2)26(24(28)21-12-7-4-8-13-21)18-23(27)25(17-22-14-9-15-29-22)16-20-10-5-3-6-11-20/h3-15,19H,16-18H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,13,27,12,14,26,28,19,11,15,25,29,18,20,9,16,5,2,10,24,17,6,22,8,4,7,23,21/E:(1,2)(5,6)(7,8)(10,11)(12,13)/rA:29nCCCNCCONCCCCCCCCCCCCOCOCCCCCC/rB:s1;s2;s2;s4;s5;d6;s6;s8;s9;s10;d11;s12;d13;d10s14;s8;s16;d17;s18;d19;s17s20;s4;d22;s22;s24;d25;s26;d27;d24s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H26N2O3 |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.3616 |
Area: | 577.314 |
Solvation: | -4.07125 |
Coulombic: | -43.6068 |
Bond Count [?]
All: | 31 |
Single: | 21 |
Double: | 10 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 390.475 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 3.88 |
LogP (Chemaxon): | 3.62 |
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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