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Chemical ID: 6003113
Chemical ID:
6003113
Name [?]:
2-[[2-(4-chlorophenoxy)acetyl]-pentyl-amino]-N-(4-methylthiazol-2-yl)-acetamide
SMILES [?]:
CCCCCN(CC(=O)Nc1nc(cs1)C)C(=O)COc2ccc(cc2)Cl
InChi [?]:
InChI=1/C19H24ClN3O3S/c1-3-4-5-10-23(11-17(24)22-19-21-14(2)13-27-19)18(25)12-26-16-8-6-15(20)7-9-16/h6-9,13H,3-5,10-12H2,1-2H3,(H,21,22,24)
InChi Info:
AuxInfo=1/1/N:1,16,2,3,4,23,25,22,26,5,7,19,14,13,24,21,8,17,11,27,12,10,6,9,18,20,15/E:(6,7)(8,9)/rA:27nCCCCCNCCONCNCCSCCOCOCCCCCCCl/rB:s1;s2;s3;s4;s5;s6;s7;d8;s8;s10;d11;s12;d13;s11s14;s13;s6;d17;s17;s19;s20;s21;d22;s23;d24;d21s25;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H24ClN3O3S |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.8817 |
Area: | 665.311 |
Solvation: | -5.75104 |
Coulombic: | -49.9237 |
Bond Count [?]
All: | 28 |
Single: | 21 |
Double: | 7 |
Rotors: | 12 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 409.931 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 3.65 |
LogP (Chemaxon): | 3.6 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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