Chemical ID: 4899694

COc1cc(cc(c1OC)OC)C(=O)Nc2ncc(s2)Cc3ccccc3
Chemical ID:
4899694
Name [?]:
N-(5-benzylthiazol-2-yl)-3,4,5-trimethoxy-benzamide
SMILES [?]:
COc1cc(cc(c1OC)OC)C(=O)Nc2ncc(s2)Cc3ccccc3
InChi [?]:
InChI=1/C20H20N2O4S/c1-24-16-10-14(11-17(25-2)18(16)26-3)19(23)22-20-21-12-15(27-20)9-13-7-5-4-6-8-13/h4-8,10-12H,9H2,1-3H3,(H,21,22,23)
InChi Info:
AuxInfo=1/1/N:1,12,10,25,24,26,23,27,21,4,6,18,22,5,19,3,7,8,13,16,17,15,14,2,11,9,20/E:(1,2)(5,6)(7,8)(10,11)(16,17)(24,25)/rA:27nCOCCCCCCOCOCCONCNCCSCCCCCCC/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;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H20N2O4S
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:7.82281
Area:608.627
Solvation:-7.39286
Coulombic:-47.9351
Bond Count [?]
All:29
Single:20
Double:9
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:384.45
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:2.29
LogP (Chemaxon):3.29

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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