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Chemical ID: 5892099
Chemical ID:
5892099
Name [?]:
5-(2-chlorobenzoyl)amino-2-(1-piperidyl)-N-(tetrahydrofuran-2-ylmethyl)benzamide
SMILES [?]:
c1ccc(c(c1)C(=O)Nc2ccc(c(c2)C(=O)NCC3CCCO3)N4CCCCC4)Cl
InChi [?]:
InChI=1/C24H28ClN3O3/c25-21-9-3-2-8-19(21)24(30)27-17-10-11-22(28-12-4-1-5-13-28)20(15-17)23(29)26-16-18-7-6-14-31-18/h2-3,8-11,15,18H,1,4-7,12-14,16H2,(H,26,29)(H,27,30)
InChi Info:
AuxInfo=1/1/N:28,1,2,27,29,22,21,6,3,11,12,26,30,23,15,19,10,20,5,14,4,13,16,7,31,18,9,25,17,8,24/E:(4,5)(12,13)/rA:31cCCCCCCCONCCCCCCCONCCCCCONCCCCCCl/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s9;s10;d11;s12;d13;d10s14;s14;d16;s16;s18;s19;s20;s21;s22;s20s23;s13;s25;s26;s27;s28;s25s29;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H28ClN3O3 |
All Atoms: | 31 |
Heavy Atoms: | 31 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.5217 |
Area: | 674.09 |
Solvation: | -5.33053 |
Coulombic: | -56.7879 |
Bond Count [?]
All: | 34 |
Single: | 26 |
Double: | 8 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 441.95 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 4.45 |
LogP (Chemaxon): | 3.74 |
Name Annotations
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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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