Chemical ID: 3943303

Cc1c(c(nc(n1)SCC(=O)N(C(C)C)C(C)C)O)Cc2ccccc2
Chemical ID:
3943303
Name [?]:
2-(5-benzyl-4-hydroxy-6-methyl-pyrimidin-2-yl)sulfanyl-N,N-diisopropyl-acetamide
SMILES [?]:
Cc1c(c(nc(n1)SCC(=O)N(C(C)C)C(C)C)O)Cc2ccccc2
InChi [?]:
InChI=1/C20H27N3O2S/c1-13(2)23(14(3)4)18(24)12-26-20-21-15(5)17(19(25)22-20)11-16-9-7-6-8-10-16/h6-10,13-14H,11-12H2,1-5H3,(H,21,22,25)
InChi Info:
AuxInfo=1/1/N:14,15,17,18,1,24,23,25,22,26,20,9,13,16,2,21,3,10,4,6,7,5,12,11,19,8/E:(1,2,3,4)(7,8)(9,10)(13,14)/rA:26nCCCCNCNSCCONCCCCCCOCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;d10;s10;s12;s13;s13;s12;s16;s16;s4;s3;s20;s21;d22;s23;d24;d21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H27N3O2S
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:11.6898
Area:596.854
Solvation:-3.2315
Coulombic:-45.4368
Bond Count [?]
All:27
Single:20
Double:7
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:373.513
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.77
LogP (Chemaxon):4.27

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Descriptor Annotations

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