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Chemical ID: 6007271
Chemical ID:
6007271
Name [?]:
4-butyl-N-cyclohexyl-N-(thiazol-2-ylcarbamoylmethyl)benzamide
SMILES [?]:
CCCCc1ccc(cc1)C(=O)N(CC(=O)Nc2nccs2)C3CCCCC3
InChi [?]:
InChI=1/C22H29N3O2S/c1-2-3-7-17-10-12-18(13-11-17)21(27)25(19-8-5-4-6-9-19)16-20(26)24-22-23-14-15-28-22/h10-15,19H,2-9,16H2,1H3,(H,23,24,26)
InChi Info:
AuxInfo=1/1/N:1,2,3,26,25,27,4,24,28,6,10,7,9,20,21,14,5,8,23,15,11,18,19,17,13,16,12,22/E:(5,6)(8,9)(10,11)(12,13)/rA:28nCCCCCCCCCCCONCCONCNCCSCCCCCC/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s8;d11;s11;s13;s14;d15;s15;s17;d18;s19;d20;s18s21;s13;s23;s24;s25;s26;s23s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H29N3O2S |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.7303 |
Area: | 638.487 |
Solvation: | -4.23185 |
Coulombic: | -44.0926 |
Bond Count [?]
All: | 30 |
Single: | 23 |
Double: | 7 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 399.551 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 4.75 |
LogP (Chemaxon): | 4.77 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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