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Chemical ID: 6014465
Chemical ID:
6014465
Name [?]:
N-[[benzyl-[(5-methyl-2-furyl)methyl]carbamoyl]methyl]-N-isobutyl-benzamide
SMILES [?]:
Cc1ccc(o1)CN(Cc2ccccc2)C(=O)CN(CC(C)C)C(=O)c3ccccc3
InChi [?]:
InChI=1/C26H30N2O3/c1-20(2)16-28(26(30)23-12-8-5-9-13-23)19-25(29)27(17-22-10-6-4-7-11-22)18-24-15-14-21(3)31-24/h4-15,20H,16-19H2,1-3H3
InChi Info:
AuxInfo=1/0/N:22,23,1,13,29,12,14,28,30,11,15,27,31,3,4,20,9,7,18,21,2,10,26,5,16,24,8,19,17,25,6/E:(1,2)(6,7)(8,9)(10,11)(12,13)/rA:31nCCCCCOCNCCCCCCCCOCNCCCCCOCCCCCC/rB:s1;d2;s3;d4;s2s5;s5;s7;s8;s9;s10;d11;s12;d13;d10s14;s8;d16;s16;s18;s19;s20;s21;s21;s19;d24;s24;s26;d27;s28;d29;d26s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H30N2O3 |
All Atoms: | 31 |
Heavy Atoms: | 31 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.3573 |
Area: | 610.696 |
Solvation: | -3.91012 |
Coulombic: | -43.4955 |
Bond Count [?]
All: | 33 |
Single: | 23 |
Double: | 10 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 418.528 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 4.31 |
LogP (Chemaxon): | 4.09 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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