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Chemical ID: 6008989
Chemical ID:
6008989
Name [?]:
2-chloro-N-(cyclohexylmethyl)-N-[(4-methylthiazol-2-yl)carbamoylmethyl]benzamide
SMILES [?]:
Cc1csc(n1)NC(=O)CN(CC2CCCCC2)C(=O)c3ccccc3Cl
InChi [?]:
InChI=1/C20H24ClN3O2S/c1-14-13-27-20(22-14)23-18(25)12-24(11-15-7-3-2-4-8-15)19(26)16-9-5-6-10-17(16)21/h5-6,9-10,13,15H,2-4,7-8,11-12H2,1H3,(H,22,23,25)
InChi Info:
AuxInfo=1/1/N:1,16,15,17,23,24,14,18,22,25,12,10,3,2,13,21,26,8,19,5,27,6,7,11,9,20,4/E:(3,4)(7,8)/rA:27nCCCSCNNCOCNCCCCCCCCOCCCCCCCl/rB:s1;d2;s3;s4;s2d5;s5;s7;d8;s8;s10;s11;s12;s13;s14;s15;s16;s13s17;s11;d19;s19;s21;d22;s23;d24;d21s25;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H24ClN3O2S |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.1197 |
Area: | 601.315 |
Solvation: | -3.91316 |
Coulombic: | -43.8285 |
Bond Count [?]
All: | 29 |
Single: | 22 |
Double: | 7 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 405.942 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 4.5 |
LogP (Chemaxon): | 4.12 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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