Chemical ID: 5525597

Cc1cc(=O)[nH]c(n1)SCC(=O)Nc2ccc(cc2)NC(=O)C
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

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Descriptor Annotations

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