Chemical ID: 5470472

CCCCCOc1ccc(cc1)C(=O)Nc2ncc(s2)Cc3cccc(c3Cl)Cl
Chemical ID:
5470472
Name [?]:
N-[5-[(2,3-dichlorophenyl)methyl]thiazol-2-yl]-4-pentoxy-benzamide
SMILES [?]:
CCCCCOc1ccc(cc1)C(=O)Nc2ncc(s2)Cc3cccc(c3Cl)Cl
InChi [?]:
InChI=1/C22H22Cl2N2O2S/c1-2-3-4-12-28-17-10-8-15(9-11-17)21(27)26-22-25-14-18(29-22)13-16-6-5-7-19(23)20(16)24/h5-11,14H,2-4,12-13H2,1H3,(H,25,26,27)
InChi Info:
AuxInfo=1/1/N:1,2,3,4,24,23,25,9,11,8,12,5,21,18,10,22,7,19,26,27,13,16,29,28,17,15,14,6,20/E:(8,9)(10,11)/rA:29nCCCCCOCCCCCCCONCNCCSCCCCCCCClCl/rB:s1;s2;s3;s4;s5;s6;s7;d8;s9;d10;d7s11;s10;d13;s13;s15;d16;s17;d18;s16s19;s19;s21;s22;d23;s24;d25;d22s26;s27;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H22Cl2N2O2S
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:13.158
Area:691.883
Solvation:-4.13911
Coulombic:-36.7993
Bond Count [?]
All:31
Single:22
Double:9
Rotors:10
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:449.394
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:6.02
LogP (Chemaxon):6.43

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Descriptor Annotations

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