Chemical ID: 3880616

COc1ccc(cc1OC)NC(=O)CSc2nccc(n2)O
Chemical ID:
3880616
Name [?]:
N-(3,4-dimethoxyphenyl)-2-(4-hydroxypyrimidin-2-yl)sulfanyl-acetamide
SMILES [?]:
COc1ccc(cc1OC)NC(=O)CSc2nccc(n2)O
InChi [?]:
InChI=1/C14H15N3O4S/c1-20-10-4-3-9(7-11(10)21-2)16-13(19)8-22-14-15-6-5-12(18)17-14/h3-7H,8H2,1-2H3,(H,16,19)(H,15,17,18)
InChi Info:
AuxInfo=1/1/N:1,10,5,4,19,18,7,14,6,3,8,20,12,16,17,11,21,22,13,2,9,15/rA:22nCOCCCCCCOCNCOCSCNCCCNO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;s11;d12;s12;s14;s15;s16;d17;s18;d19;d16s20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H15N3O4S
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:5.97172
Area:525.297
Solvation:-7.16071
Coulombic:-60.1144
Bond Count [?]
All:23
Single:16
Double:7
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:321.353
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:0.92
LogP (Chemaxon):1.92

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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