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Chemical ID: 6007563
Chemical ID:
6007563
Name [?]:
3-chloro-N-isopentyl-N-[(5-methylthiazol-2-yl)carbamoylmethyl]benzamide
SMILES [?]:
Cc1cnc(s1)NC(=O)CN(CCC(C)C)C(=O)c2cccc(c2)Cl
InChi [?]:
InChI=1/C18H22ClN3O2S/c1-12(2)7-8-22(17(24)14-5-4-6-15(19)9-14)11-16(23)21-18-20-10-13(3)25-18/h4-6,9-10,12H,7-8,11H2,1-3H3,(H,20,21,23)
InChi Info:
AuxInfo=1/1/N:15,16,1,21,20,22,13,12,24,3,10,14,2,19,23,8,17,5,25,4,7,11,9,18,6/E:(1,2)/rA:25nCCCNCSNCOCNCCCCCCOCCCCCCCl/rB:s1;d2;s3;d4;s2s5;s5;s7;d8;s8;s10;s11;s12;s13;s14;s14;s11;d17;s17;s19;d20;s21;d22;d19s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H22ClN3O2S |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.2074 |
Area: | 609.543 |
Solvation: | -4.03122 |
Coulombic: | -43.6672 |
Bond Count [?]
All: | 26 |
Single: | 19 |
Double: | 7 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 379.905 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.21 |
LogP (Chemaxon): | 3.58 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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