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Chemical ID: 6014512
Chemical ID:
6014512
Name [?]:
N-[[benzyl-[(5-methyl-2-furyl)methyl]carbamoyl]methyl]-N-isopropyl-4-methoxy-benzamide
SMILES [?]:
Cc1ccc(o1)CN(Cc2ccccc2)C(=O)CN(C(C)C)C(=O)c3ccc(cc3)OC
InChi [?]:
InChI=1/C26H30N2O4/c1-19(2)28(26(30)22-11-14-23(31-4)15-12-22)18-25(29)27(16-21-8-6-5-7-9-21)17-24-13-10-20(3)32-24/h5-15,19H,16-18H2,1-4H3
InChi Info:
AuxInfo=1/0/N:21,22,1,32,13,12,14,11,15,3,26,30,4,27,29,9,7,18,20,2,10,25,28,5,16,23,8,19,17,24,31,6/E:(1,2)(6,7)(8,9)(11,12)(14,15)/rA:32nCCCCCOCNCCCCCCCCOCNCCCCOCCCCCCOC/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;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H30N2O4 |
All Atoms: | 32 |
Heavy Atoms: | 32 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.88842 |
Area: | 614.938 |
Solvation: | -5.48503 |
Coulombic: | -49.0896 |
Bond Count [?]
All: | 34 |
Single: | 24 |
Double: | 10 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 434.527 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 4.03 |
LogP (Chemaxon): | 3.38 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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