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Chemical ID: 5525597
Chemical ID:
5525597
Name [?]:
N-[4-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]aminophenyl]acetamide
SMILES [?]:
Cc1cc(=O)[nH]c(n1)SCC(=O)Nc2ccc(cc2)NC(=O)C
InChi [?]:
InChI=1/C15H16N4O3S/c1-9-7-13(21)19-15(16-9)23-8-14(22)18-12-5-3-11(4-6-12)17-10(2)20/h3-7H,8H2,1-2H3,(H,17,20)(H,18,22)(H,16,19,21)
InChi Info:
AuxInfo=1/1/N:1,23,16,18,15,19,3,10,2,21,17,14,4,11,7,8,20,13,6,22,5,12,9/E:(3,4)(5,6)/rA:23nCCCCONCNSCCONCCCCCCNCOC/rB:s1;d2;s3;d4;s4;s6;s2d7;s7;s9;s10;d11;s11;s13;s14;d15;s16;d17;d14s18;s17;s20;d21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H16N4O3S |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.93228 |
Area: | 549.929 |
Solvation: | -4.81594 |
Coulombic: | -63.2703 |
Bond Count [?]
All: | 24 |
Single: | 16 |
Double: | 8 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 332.379 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | -0.36 |
LogP (Chemaxon): | 1.06 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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