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Chemical ID: 5890263
Chemical ID:
5890263
Name [?]:
5-(3-chloro-2,2-dimethyl-propanoyl)amino-N-cyclohexyl-2-(4-methyl-1-piperidyl)-benzamide
SMILES [?]:
CC1CCN(CC1)c2ccc(cc2C(=O)NC3CCCCC3)NC(=O)C(C)(C)CCl
InChi [?]:
InChI=1/C24H36ClN3O2/c1-17-11-13-28(14-12-17)21-10-9-19(27-23(30)24(2,3)16-25)15-20(21)22(29)26-18-7-5-4-6-8-18/h9-10,15,17-18H,4-8,11-14,16H2,1-3H3,(H,26,29)(H,27,30)
InChi Info:
AuxInfo=1/1/N:1,27,28,20,19,21,18,22,10,9,3,7,4,6,12,29,2,17,11,13,8,14,24,26,30,16,23,5,15,25/E:(2,3)(5,6)(7,8)(11,12)(13,14)/rA:30nCCCCNCCCCCCCCCONCCCCCCNCOCCCCCl/rB:s1;s2;s3;s4;s5;s2s6;s5;s8;d9;s10;d11;d8s12;s13;d14;s14;s16;s17;s18;s19;s20;s17s21;s11;s23;d24;s24;s26;s26;s26;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H36ClN3O2 |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 13.2953 |
Area: | 677.597 |
Solvation: | -3.64467 |
Coulombic: | -49.0194 |
Bond Count [?]
All: | 32 |
Single: | 27 |
Double: | 5 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 434.014 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 5.18 |
LogP (Chemaxon): | 5.17 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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