Chemical ID: 5422705

CCCCCOc1ccc(cc1)C(=O)Nc2ncc(s2)Cc3ccccc3F
Chemical ID:
5422705
Name [?]:
N-[5-[(2-fluorophenyl)methyl]thiazol-2-yl]-4-pentoxy-benzamide
SMILES [?]:
CCCCCOc1ccc(cc1)C(=O)Nc2ncc(s2)Cc3ccccc3F
InChi [?]:
InChI=1/C22H23FN2O2S/c1-2-3-6-13-27-18-11-9-16(10-12-18)21(26)25-22-24-15-19(28-22)14-17-7-4-5-8-20(17)23/h4-5,7-12,15H,2-3,6,13-14H2,1H3,(H,24,25,26)
InChi Info:
AuxInfo=1/1/N:1,2,3,24,25,4,23,26,9,11,8,12,5,21,18,10,22,7,19,27,13,16,28,17,15,14,6,20/E:(9,10)(11,12)/rA:28nCCCCCOCCCCCCCONCNCCSCCCCCCCF/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;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H23FN2O2S
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:11.3785
Area:649.387
Solvation:-4.85618
Coulombic:-39.7001
Bond Count [?]
All:30
Single:21
Double:9
Rotors:10
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:398.495
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.94
LogP (Chemaxon):5.53

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Descriptor Annotations

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