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Chemical ID: 6009173
Chemical ID:
6009173
Name [?]:
3,4-dichloro-N-isopentyl-N-(thiazol-2-ylcarbamoylmethyl)benzamide
SMILES [?]:
CC(C)CCN(CC(=O)Nc1nccs1)C(=O)c2ccc(c(c2)Cl)Cl
InChi [?]:
InChI=1/C17H19Cl2N3O2S/c1-11(2)5-7-22(10-15(23)21-17-20-6-8-25-17)16(24)12-3-4-13(18)14(19)9-12/h3-4,6,8-9,11H,5,7,10H2,1-2H3,(H,20,21,23)
InChi Info:
AuxInfo=1/1/N:1,3,19,20,4,13,5,14,23,7,2,18,21,22,8,16,11,25,24,12,10,6,9,17,15/E:(1,2)/rA:25nCCCCCNCCONCNCCSCOCCCCCCClCl/rB:s1;s2;s2;s4;s5;s6;s7;d8;s8;s10;d11;s12;d13;s11s14;s6;d16;s16;s18;d19;s20;d21;d18s22;s22;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H19Cl2N3O2S |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.1328 |
Area: | 613.015 |
Solvation: | -4.19259 |
Coulombic: | -43.4269 |
Bond Count [?]
All: | 26 |
Single: | 19 |
Double: | 7 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 400.323 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.98 |
LogP (Chemaxon): | 4.11 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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