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Chemical ID: 3849706
Chemical ID:
3849706
Name [?]:
N-(3-ethoxyphenyl)-2-(4-hydroxy-6-methyl-pyrimidin-2-yl)sulfanyl-acetamide
SMILES [?]:
CCOc1cccc(c1)NC(=O)CSc2nc(cc(n2)O)C
InChi [?]:
InChI=1/C15H17N3O3S/c1-3-21-12-6-4-5-11(8-12)17-14(20)9-22-15-16-10(2)7-13(19)18-15/h4-8H,3,9H2,1-2H3,(H,17,20)(H,16,18,19)
InChi Info:
AuxInfo=1/1/N:1,22,2,6,7,5,18,9,13,17,8,4,19,11,15,16,10,20,21,12,3,14/rA:22nCCOCCCCCCNCOCSCNCCCNOC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s8;s10;d11;s11;s13;s14;s15;d16;s17;d18;d15s19;s19;s17;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H17N3O3S |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.77862 |
Area: | 537.839 |
Solvation: | -4.66735 |
Coulombic: | -54.4719 |
Bond Count [?]
All: | 23 |
Single: | 16 |
Double: | 7 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 319.38 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 2.01 |
LogP (Chemaxon): | 2.68 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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