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Chemical ID: 6014525
Chemical ID:
6014525
Name [?]:
N-[[benzyl-[(5-methyl-2-furyl)methyl]carbamoyl]methyl]-N-isopropyl-4-tert-butyl-benzamide
SMILES [?]:
Cc1ccc(o1)CN(Cc2ccccc2)C(=O)CN(C(C)C)C(=O)c3ccc(cc3)C(C)(C)C
InChi [?]:
InChI=1/C29H36N2O3/c1-21(2)31(28(33)24-13-15-25(16-14-24)29(4,5)6)20-27(32)30(18-23-10-8-7-9-11-23)19-26-17-12-22(3)34-26/h7-17,21H,18-20H2,1-6H3
InChi Info:
AuxInfo=1/0/N:21,22,1,32,33,34,13,12,14,11,15,3,26,30,27,29,4,9,7,18,20,2,10,25,28,5,16,23,31,8,19,17,24,6/E:(1,2)(4,5,6)(8,9)(10,11)(13,14)(15,16)/rA:34nCCCCCOCNCCCCCCCCOCNCCCCOCCCCCCCCCC/rB:s1;d2;s3;d4;s2s5;s5;s7;s8;s9;s10;d11;s12;d13;d10s14;s8;d16;s16;s18;s19;s20;s20;s19;d23;s23;s25;d26;s27;d28;d25s29;s28;s31;s31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C29H36N2O3 |
All Atoms: | 34 |
Heavy Atoms: | 34 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.0522 |
Area: | 640.154 |
Solvation: | -3.95161 |
Coulombic: | -43.9022 |
Bond Count [?]
All: | 36 |
Single: | 26 |
Double: | 10 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 460.608 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 5.94 |
LogP (Chemaxon): | 5.26 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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