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Chemical ID: 6007260
Chemical ID:
6007260
Name [?]:
N-cyclohexyl-4-pentyl-N-(thiazol-2-ylcarbamoylmethyl)benzamide
SMILES [?]:
CCCCCc1ccc(cc1)C(=O)N(CC(=O)Nc2nccs2)C3CCCCC3
InChi [?]:
InChI=1/C23H31N3O2S/c1-2-3-5-8-18-11-13-19(14-12-18)22(28)26(20-9-6-4-7-10-20)17-21(27)25-23-24-15-16-29-23/h11-16,20H,2-10,17H2,1H3,(H,24,25,27)
InChi Info:
AuxInfo=1/1/N:1,2,3,27,4,26,28,5,25,29,7,11,8,10,21,22,15,6,9,24,16,12,19,20,18,14,17,13,23/E:(6,7)(9,10)(11,12)(13,14)/rA:29nCCCCCCCCCCCCONCCONCNCCSCCCCCC/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s9;d12;s12;s14;s15;d16;s16;s18;d19;s20;d21;s19s22;s14;s24;s25;s26;s27;s24s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H31N3O2S |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.3814 |
Area: | 665.558 |
Solvation: | -4.2575 |
Coulombic: | -44.3965 |
Bond Count [?]
All: | 31 |
Single: | 24 |
Double: | 7 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 413.577 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 5.32 |
LogP (Chemaxon): | 5.17 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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