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Chemical ID: 6292304
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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