Chemical ID: 3963608

COc1cc(cc(c1OC)OC)C(=O)Nc2ccc(nc2)NC(=O)c3cccs3
Chemical ID:
3963608
Name [?]:
N-[5-(3,4,5-trimethoxybenzoyl)amino-2-pyridyl]thiophene-2-carboxamide
SMILES [?]:
COc1cc(cc(c1OC)OC)C(=O)Nc2ccc(nc2)NC(=O)c3cccs3
InChi [?]:
InChI=1/C20H19N3O5S/c1-26-14-9-12(10-15(27-2)18(14)28-3)19(24)22-13-6-7-17(21-11-13)23-20(25)16-5-4-8-29-16/h4-11H,1-3H3,(H,22,24)(H,21,23,25)
InChi Info:
AuxInfo=1/1/N:1,12,10,27,26,17,18,28,4,6,21,5,16,3,7,25,19,8,13,23,20,15,22,14,24,2,11,9,29/E:(1,2)(9,10)(14,15)(26,27)/rA:29nCOCCCCCCOCOCCONCCCCNCNCOCCCCS/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s7;s11;s5;d13;s13;s15;s16;d17;s18;d19;d16s20;s19;s22;d23;s23;d25;s26;d27;s25s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H19N3O5S
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:7.54693
Area:634.101
Solvation:-8.30559
Coulombic:-67.1795
Bond Count [?]
All:31
Single:21
Double:10
Rotors:9
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:413.448
H-Bond Donors:2
H-Bond Acceptors:7
XLogP:1.39
LogP (Chemaxon):2.2

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Descriptor Annotations

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