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Chemical ID: 6014504
Chemical ID:
6014504
Name [?]:
N-[[benzyl-[(5-methyl-2-furyl)methyl]carbamoyl]methyl]-3-chloro-N-isobutyl-benzamide
SMILES [?]:
Cc1ccc(o1)CN(Cc2ccccc2)C(=O)CN(CC(C)C)C(=O)c3cccc(c3)Cl
InChi [?]:
InChI=1/C26H29ClN2O3/c1-19(2)15-29(26(31)22-10-7-11-23(27)14-22)18-25(30)28(16-21-8-5-4-6-9-21)17-24-13-12-20(3)32-24/h4-14,19H,15-18H2,1-3H3
InChi Info:
AuxInfo=1/0/N:22,23,1,13,12,14,28,11,15,27,29,3,4,31,20,9,7,18,21,2,10,26,30,5,16,24,32,8,19,17,25,6/E:(1,2)(5,6)(8,9)/rA:32nCCCCCOCNCCCCCCCCOCNCCCCCOCCCCCCCl/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;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H29ClN2O3 |
All Atoms: | 32 |
Heavy Atoms: | 32 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 13.1427 |
Area: | 692.966 |
Solvation: | -4.18149 |
Coulombic: | -43.8344 |
Bond Count [?]
All: | 34 |
Single: | 24 |
Double: | 10 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 452.973 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 4.94 |
LogP (Chemaxon): | 4.61 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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