Chemical ID: 5524653

Cc1cc(=O)[nH]c(n1)SCC(=O)Nc2ccc(cc2)C(C)C
Chemical ID:
5524653
Name [?]:
N-(4-isopropylphenyl)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
SMILES [?]:
Cc1cc(=O)[nH]c(n1)SCC(=O)Nc2ccc(cc2)C(C)C
InChi [?]:
InChI=1/C16H19N3O2S/c1-10(2)12-4-6-13(7-5-12)18-15(21)9-22-16-17-11(3)8-14(20)19-16/h4-8,10H,9H2,1-3H3,(H,18,21)(H,17,19,20)
InChi Info:
AuxInfo=1/1/N:21,22,1,16,18,15,19,3,10,20,2,17,14,4,11,7,8,13,6,5,12,9/E:(1,2)(4,5)(6,7)/rA:22nCCCCONCNSCCONCCCCCCCCC/rB:s1;d2;s3;d4;s4;s6;s2d7;s7;s9;s10;d11;s11;s13;s14;d15;s16;d17;d14s18;s17;s20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H19N3O2S
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:10.1261
Area:540.008
Solvation:-3.37408
Coulombic:-46.241
Bond Count [?]
All:23
Single:16
Double:7
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:317.407
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.21
LogP (Chemaxon):2.93

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Descriptor Annotations

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