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Chemical ID: 6003051
Chemical ID:
6003051
Name [?]:
N-cyclohexyl-3-methoxy-N-[(4-methylthiazol-2-yl)carbamoylmethyl]benzamide
SMILES [?]:
Cc1csc(n1)NC(=O)CN(C2CCCCC2)C(=O)c3cccc(c3)OC
InChi [?]:
InChI=1/C20H25N3O3S/c1-14-13-27-20(21-14)22-18(24)12-23(16-8-4-3-5-9-16)19(25)15-7-6-10-17(11-15)26-2/h6-7,10-11,13,16H,3-5,8-9,12H2,1-2H3,(H,21,22,24)
InChi Info:
AuxInfo=1/1/N:1,27,15,14,16,22,21,13,17,23,25,10,3,2,20,12,24,8,18,5,6,7,11,9,19,26,4/E:(4,5)(8,9)/rA:27nCCCSCNNCOCNCCCCCCCOCCCCCCOC/rB:s1;d2;s3;s4;s2d5;s5;s7;d8;s8;s10;s11;s12;s13;s14;s15;s12s16;s11;d18;s18;s20;d21;s22;d23;d20s24;s24;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H25N3O3S |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.35039 |
Area: | 601.579 |
Solvation: | -5.68909 |
Coulombic: | -49.3455 |
Bond Count [?]
All: | 29 |
Single: | 22 |
Double: | 7 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 387.497 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 3.17 |
LogP (Chemaxon): | 3.04 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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