Chemical ID: 6292304

CCCc1cc(nc(n1)SCC(=O)Nc2ccc(cc2)O)O
Chemical ID:
6292304
Name [?]:
N-(4-hydroxyphenyl)-2-(4-hydroxy-6-propyl-pyrimidin-2-yl)sulfanyl-acetamide
SMILES [?]:
CCCc1cc(nc(n1)SCC(=O)Nc2ccc(cc2)O)O
InChi [?]:
InChI=1/C15H17N3O3S/c1-2-3-11-8-13(20)18-15(17-11)22-9-14(21)16-10-4-6-12(19)7-5-10/h4-8,19H,2-3,9H2,1H3,(H,16,21)(H,17,18,20)
InChi Info:
AuxInfo=1/1/N:1,2,3,16,20,17,19,5,11,15,4,18,6,12,8,14,9,7,21,22,13,10/E:(4,5)(6,7)/rA:22nCCCCCCNCNSCCONCCCCCCOO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s8;s10;s11;d12;s12;s14;s15;d16;s17;d18;d15s19;s18;s6;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H17N3O3S
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:9.1922
Area:543.839
Solvation:-4.40378
Coulombic:-63.5594
Bond Count [?]
All:23
Single:16
Double:7
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:319.38
H-Bond Donors:3
H-Bond Acceptors:4
XLogP:1.24
LogP (Chemaxon):3.33

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Descriptor Annotations

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