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Chemical ID: 6582196
Chemical ID:
6582196
Name [?]:
N-(4-acetamidophenyl)-2-(4-hydroxy-6-propyl-pyrimidin-2-yl)sulfanyl-acetamide
SMILES [?]:
CCCc1cc(nc(n1)SCC(=O)Nc2ccc(cc2)NC(=O)C)O
InChi [?]:
InChI=1/C17H20N4O3S/c1-3-4-14-9-15(23)21-17(20-14)25-10-16(24)19-13-7-5-12(6-8-13)18-11(2)22/h5-9H,3-4,10H2,1-2H3,(H,18,22)(H,19,24)(H,20,21,23)
InChi Info:
AuxInfo=1/1/N:1,24,2,3,17,19,16,20,5,11,22,18,15,4,6,12,8,21,14,9,7,23,25,13,10/E:(5,6)(7,8)/rA:25nCCCCCCNCNSCCONCCCCCCNCOCO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s8;s10;s11;d12;s12;s14;s15;d16;s17;d18;d15s19;s18;s21;d22;s22;s6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H20N4O3S |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.0289 |
Area: | 600.707 |
Solvation: | -4.98874 |
Coulombic: | -66.0197 |
Bond Count [?]
All: | 26 |
Single: | 18 |
Double: | 8 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 360.432 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 5 |
XLogP: | 0.9 |
LogP (Chemaxon): | 2.94 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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