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Chemical ID: 5914010
Chemical ID:
5914010
Name [?]:
N-isopentyl-3-methyl-N-(thiazol-2-ylcarbamoylmethyl)benzamide
SMILES [?]:
Cc1cccc(c1)C(=O)N(CCC(C)C)CC(=O)Nc2nccs2
InChi [?]:
InChI=1/C18H23N3O2S/c1-13(2)7-9-21(12-16(22)20-18-19-8-10-24-18)17(23)15-6-4-5-14(3)11-15/h4-6,8,10-11,13H,7,9,12H2,1-3H3,(H,19,20,22)
InChi Info:
AuxInfo=1/1/N:14,15,1,4,3,5,12,22,11,23,7,16,13,2,6,17,8,20,21,19,10,18,9,24/E:(1,2)/rA:24nCCCCCCCCONCCCCCCCONCNCCS/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;s10;s11;s12;s13;s13;s10;s16;d17;s17;s19;d20;s21;d22;s20s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H23N3O2S |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.99103 |
Area: | 570.119 |
Solvation: | -4.26194 |
Coulombic: | -43.1134 |
Bond Count [?]
All: | 25 |
Single: | 18 |
Double: | 7 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 345.46 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.17 |
LogP (Chemaxon): | 3.54 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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