ChemDB: Chemical Search
Download
Chemical ID: 3946990
Chemical ID:
3946990
Name [?]:
1-[(3-chlorophenyl)carbamoylamino]-N-(cyclohexylmethyl)cyclohexane-1-carboxamide
SMILES [?]:
c1cc(cc(c1)Cl)NC(=O)NC2(CCCCC2)C(=O)NCC3CCCCC3
InChi [?]:
InChI=1/C21H30ClN3O2/c22-17-10-7-11-18(14-17)24-20(27)25-21(12-5-2-6-13-21)19(26)23-15-16-8-3-1-4-9-16/h7,10-11,14,16H,1-6,8-9,12-13,15H2,(H,23,26)(H2,24,25,27)
InChi Info:
AuxInfo=1/1/N:25,15,24,26,14,16,1,23,27,6,2,13,17,4,21,22,5,3,18,9,12,7,20,8,11,19,10/E:(3,4)(5,6)(8,9)(12,13)/rA:27nCCCCCCClNCONCCCCCCCONCCCCCCC/rB:s1;d2;s3;d4;d1s5;s5;s3;s8;d9;s9;s11;s12;s13;s14;s15;s12s16;s12;d18;s18;s20;s21;s22;s23;s24;s25;s22s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H30ClN3O2 |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.2143 |
Area: | 602.836 |
Solvation: | -2.85663 |
Coulombic: | -58.5658 |
Bond Count [?]
All: | 29 |
Single: | 24 |
Double: | 5 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 391.935 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 5 |
XLogP: | 4.74 |
LogP (Chemaxon): | 4.26 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|