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Chemical ID: 5908575
Chemical ID:
5908575
Name [?]:
N-[(2-furylmethyl-phenethyl-carbamoyl)methyl]-4-methyl-N-tert-butyl-benzamide
SMILES [?]:
Cc1ccc(cc1)C(=O)N(CC(=O)N(CCc2ccccc2)Cc3ccco3)C(C)(C)C
InChi [?]:
InChI=1/C27H32N2O3/c1-21-12-14-23(15-13-21)26(31)29(27(2,3)4)20-25(30)28(19-24-11-8-18-32-24)17-16-22-9-6-5-7-10-22/h5-15,18H,16-17,19-20H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,30,31,32,20,19,21,26,18,22,25,3,7,4,6,16,15,27,23,11,2,17,5,24,12,8,29,14,10,13,9,28/E:(2,3,4)(6,7)(9,10)(12,13)(14,15)/rA:32nCCCCCCCCONCCONCCCCCCCCCCCCCOCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s8;s10;s11;d12;s12;s14;s15;s16;s17;d18;s19;d20;d17s21;s14;s23;d24;s25;d26;s24s27;s10;s29;s29;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C27H32N2O3 |
All Atoms: | 32 |
Heavy Atoms: | 32 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.4788 |
Area: | 672.411 |
Solvation: | -4.33151 |
Coulombic: | -43.4362 |
Bond Count [?]
All: | 34 |
Single: | 24 |
Double: | 10 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 432.555 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 4.89 |
LogP (Chemaxon): | 4.41 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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