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Chemical ID: 6007289
Chemical ID:
6007289
Name [?]:
3,5-dichloro-N-cyclohexyl-N-(thiazol-2-ylcarbamoylmethyl)benzamide
SMILES [?]:
c1csc(n1)NC(=O)CN(C2CCCCC2)C(=O)c3cc(cc(c3)Cl)Cl
InChi [?]:
InChI=1/C18H19Cl2N3O2S/c19-13-8-12(9-14(20)10-13)17(25)23(15-4-2-1-3-5-15)11-16(24)22-18-21-6-7-26-18/h6-10,15H,1-5,11H2,(H,21,22,24)
InChi Info:
AuxInfo=1/1/N:14,13,15,12,16,1,2,20,24,22,9,19,21,23,11,7,17,4,26,25,5,6,10,8,18,3/E:(2,3)(4,5)(8,9)(13,14)(19,20)/rA:26nCCSCNNCOCNCCCCCCCOCCCCCCClCl/rB:d1;s2;s3;s1d4;s4;s6;d7;s7;s9;s10;s11;s12;s13;s14;s11s15;s10;d17;s17;s19;d20;s21;d22;d19s23;s23;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H19Cl2N3O2S |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.2991 |
Area: | 610.449 |
Solvation: | -4.96214 |
Coulombic: | -42.1642 |
Bond Count [?]
All: | 28 |
Single: | 21 |
Double: | 7 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 412.334 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.95 |
LogP (Chemaxon): | 4.15 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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