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Chemical ID: 6003981
Chemical ID:
6003981
Name [?]:
3-chloro-N-cyclohexyl-N-(m-tolylcarbamoylmethylcarbamoylmethyl)benzamide
SMILES [?]:
Cc1cccc(c1)NC(=O)CNC(=O)CN(C2CCCCC2)C(=O)c3cccc(c3)Cl
InChi [?]:
InChI=1/C24H28ClN3O3/c1-17-7-5-10-20(13-17)27-22(29)15-26-23(30)16-28(21-11-3-2-4-12-21)24(31)18-8-6-9-19(25)14-18/h5-10,13-14,21H,2-4,11-12,15-16H2,1H3,(H,26,30)(H,27,29)
InChi Info:
AuxInfo=1/1/N:1,20,19,21,4,27,3,26,28,5,18,22,7,30,11,15,2,25,29,6,17,9,13,23,31,12,8,16,10,14,24/E:(3,4)(11,12)/rA:31nCCCCCCCNCOCNCOCNCCCCCCCOCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;s11;s12;d13;s13;s15;s16;s17;s18;s19;s20;s17s21;s16;d23;s23;s25;d26;s27;d28;d25s29;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H28ClN3O3 |
All Atoms: | 31 |
Heavy Atoms: | 31 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 13.2277 |
Area: | 673.642 |
Solvation: | -3.61337 |
Coulombic: | -61.4681 |
Bond Count [?]
All: | 33 |
Single: | 24 |
Double: | 9 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 441.95 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 4.37 |
LogP (Chemaxon): | 3.77 |
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.
Chemical Mix | Source | External ID | Descriptor | Value |
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