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Chemical ID: 6014483
Chemical ID:
6014483
Name [?]:
N-[[benzyl-[(5-methyl-2-furyl)methyl]carbamoyl]methyl]-N-isobutyl-4-tert-butyl-benzamide
SMILES [?]:
Cc1ccc(o1)CN(Cc2ccccc2)C(=O)CN(CC(C)C)C(=O)c3ccc(cc3)C(C)(C)C
InChi [?]:
InChI=1/C30H38N2O3/c1-22(2)18-32(29(34)25-13-15-26(16-14-25)30(4,5)6)21-28(33)31(19-24-10-8-7-9-11-24)20-27-17-12-23(3)35-27/h7-17,22H,18-21H2,1-6H3
InChi Info:
AuxInfo=1/0/N:22,23,1,33,34,35,13,12,14,11,15,3,27,31,28,30,4,20,9,7,18,21,2,10,26,29,5,16,24,32,8,19,17,25,6/E:(1,2)(4,5,6)(8,9)(10,11)(13,14)(15,16)/rA:35nCCCCCOCNCCCCCCCCOCNCCCCCOCCCCCCCCCC/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;s29;s32;s32;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C30H38N2O3 |
All Atoms: | 35 |
Heavy Atoms: | 35 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 13.4108 |
Area: | 692.717 |
Solvation: | -3.90717 |
Coulombic: | -44.1015 |
Bond Count [?]
All: | 37 |
Single: | 27 |
Double: | 10 |
Rotors: | 12 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 474.634 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 6.13 |
LogP (Chemaxon): | 5.72 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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