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Chemical ID: 6016291
Chemical ID:
6016291
Name [?]:
N-[(benzyl-(2-furylmethyl)carbamoyl)methyl]-4-methyl-N-(tetrahydrofuran-2-ylmethyl)benzamide
SMILES [?]:
Cc1ccc(cc1)C(=O)N(CC2CCCO2)CC(=O)N(Cc3ccccc3)Cc4ccco4
InChi [?]:
InChI=1/C27H30N2O4/c1-21-11-13-23(14-12-21)27(31)29(19-25-10-6-16-33-25)20-26(30)28(18-24-9-5-15-32-24)17-22-7-3-2-4-8-22/h2-5,7-9,11-15,25H,6,10,16-20H2,1H3
InChi Info:
AuxInfo=1/0/N:1,25,24,26,31,14,23,27,30,13,3,7,4,6,32,15,21,28,11,17,2,22,5,29,12,18,8,20,10,19,9,33,16/E:(3,4)(7,8)(11,12)(13,14)/rA:33cCCCCCCCCONCCCCCOCCONCCCCCCCCCCCCO/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s8;s10;s11;s12;s13;s14;s12s15;s10;s17;d18;s18;s20;s21;s22;d23;s24;d25;d22s26;s20;s28;d29;s30;d31;s29s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C27H30N2O4 |
All Atoms: | 33 |
Heavy Atoms: | 33 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.0891 |
Area: | 644.782 |
Solvation: | -5.03047 |
Coulombic: | -51.2497 |
Bond Count [?]
All: | 36 |
Single: | 26 |
Double: | 10 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 446.538 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 3.79 |
LogP (Chemaxon): | 3.56 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
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