Chemical ID: 3862263

CN(C)CCCN(c1nc(cs1)c2ccccc2)C(=O)COc3ccc(cc3)Cl
Chemical ID:
3862263
Name [?]:
2-(4-chlorophenoxy)-N-(3-dimethylaminopropyl)-N-(4-phenylthiazol-2-yl)-acetamide
SMILES [?]:
CN(C)CCCN(c1nc(cs1)c2ccccc2)C(=O)COc3ccc(cc3)Cl
InChi [?]:
InChI=1/C22H24ClN3O2S/c1-25(2)13-6-14-26(21(27)15-28-19-11-9-18(23)10-12-19)22-24-20(16-29-22)17-7-4-3-5-8-17/h3-5,7-12,16H,6,13-15H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,16,15,17,5,14,18,25,27,24,28,4,6,21,11,13,26,23,10,19,8,29,9,2,7,20,22,12/E:(1,2)(4,5)(7,8)(9,10)(11,12)/rA:29nCNCCCCNCNCCSCCCCCCCOCOCCCCCCCl/rB:s1;s2;s2;s4;s5;s6;s7;d8;s9;d10;s8s11;s10;s13;d14;s15;d16;d13s17;s7;d19;s19;s21;s22;s23;d24;s25;d26;d23s27;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H24ClN3O2S
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:11.2166
Area:673.018
Solvation:-5.60888
Coulombic:-35.644
Bond Count [?]
All:31
Single:22
Double:9
Rotors:10
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:429.964
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:4.49
LogP (Chemaxon):4.54

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Descriptor Annotations

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