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Chemical ID: 6014544
Chemical ID:
6014544
Name [?]:
N-[[benzyl-[(5-methyl-2-furyl)methyl]carbamoyl]methyl]-3,5-dichloro-N-isopropyl-benzamide
SMILES [?]:
Cc1ccc(o1)CN(Cc2ccccc2)C(=O)CN(C(C)C)C(=O)c3cc(cc(c3)Cl)Cl
InChi [?]:
InChI=1/C25H26Cl2N2O3/c1-17(2)29(25(31)20-11-21(26)13-22(27)12-20)16-24(30)28(14-19-7-5-4-6-8-19)15-23-10-9-18(3)32-23/h4-13,17H,14-16H2,1-3H3
InChi Info:
AuxInfo=1/0/N:21,22,1,13,12,14,11,15,3,4,26,30,28,9,7,18,20,2,10,25,27,29,5,16,23,32,31,8,19,17,24,6/E:(1,2)(5,6)(7,8)(11,12)(21,22)(26,27)/rA:32nCCCCCOCNCCCCCCCCOCNCCCCOCCCCCCClCl/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;s29;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H26Cl2N2O3 |
All Atoms: | 32 |
Heavy Atoms: | 32 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.5994 |
Area: | 642.285 |
Solvation: | -4.45772 |
Coulombic: | -42.2162 |
Bond Count [?]
All: | 34 |
Single: | 24 |
Double: | 10 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 473.391 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 5.36 |
LogP (Chemaxon): | 4.67 |
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.
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