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Chemical ID: 6001022
Chemical ID:
6001022
Name [?]:
N-cyclopropyl-4-hexyl-N-(thiazol-2-ylcarbamoylmethyl)benzamide
SMILES [?]:
CCCCCCc1ccc(cc1)C(=O)N(CC(=O)Nc2nccs2)C3CC3
InChi [?]:
InChI=1/C21H27N3O2S/c1-2-3-4-5-6-16-7-9-17(10-8-16)20(26)24(18-11-12-18)15-19(25)23-21-22-13-14-27-21/h7-10,13-14,18H,2-6,11-12,15H2,1H3,(H,22,23,25)
InChi Info:
AuxInfo=1/1/N:1,2,3,4,5,6,8,12,9,11,26,27,22,23,16,7,10,25,17,13,20,21,19,15,18,14,24/E:(7,8)(9,10)(11,12)/rA:27nCCCCCCCCCCCCCONCCONCNCCSCCC/rB:s1;s2;s3;s4;s5;s6;s7;d8;s9;d10;d7s11;s10;d13;s13;s15;s16;d17;s17;s19;d20;s21;d22;s20s23;s15;s25;s25s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H27N3O2S |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.8659 |
Area: | 636.802 |
Solvation: | -4.05416 |
Coulombic: | -43.7403 |
Bond Count [?]
All: | 29 |
Single: | 22 |
Double: | 7 |
Rotors: | 12 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 385.524 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 4.6 |
LogP (Chemaxon): | 4.38 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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