Chemical ID: 4343094

COc1cc(cc(c1OC)OC)C(=O)Nc2ncc(s2)Cc3ccc(cc3)F
Chemical ID:
4343094
Name [?]:
N-[5-[(4-fluorophenyl)methyl]thiazol-2-yl]-3,4,5-trimethoxy-benzamide
SMILES [?]:
COc1cc(cc(c1OC)OC)C(=O)Nc2ncc(s2)Cc3ccc(cc3)F
InChi [?]:
InChI=1/C20H19FN2O4S/c1-25-16-9-13(10-17(26-2)18(16)27-3)19(24)23-20-22-11-15(28-20)8-12-4-6-14(21)7-5-12/h4-7,9-11H,8H2,1-3H3,(H,22,23,24)
InChi Info:
AuxInfo=1/1/N:1,12,10,23,27,24,26,21,4,6,18,22,5,25,19,3,7,8,13,16,28,17,15,14,2,11,9,20/E:(1,2)(4,5)(6,7)(9,10)(16,17)(25,26)/rA:28nCOCCCCCCOCOCCONCNCCSCCCCCCCF/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s7;s11;s5;d13;s13;s15;d16;s17;d18;s16s19;s19;s21;s22;d23;s24;d25;d22s26;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H19FN2O4S
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:7.10548
Area:617.21
Solvation:-8.32477
Coulombic:-50.8847
Bond Count [?]
All:30
Single:21
Double:9
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:402.44
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:2.45
LogP (Chemaxon):3.43

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Descriptor Annotations

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