Chemical ID: 4465148

CCc1c(nc(nc1O)SCC(=O)Nc2ccc(cc2)OCc3ccccc3)C
Chemical ID:
4465148
Name [?]:
N-(4-benzyloxyphenyl)-2-(5-ethyl-4-hydroxy-6-methyl-pyrimidin-2-yl)sulfanyl-acetamide
SMILES [?]:
CCc1c(nc(nc1O)SCC(=O)Nc2ccc(cc2)OCc3ccccc3)C
InChi [?]:
InChI=1/C22H23N3O3S/c1-3-19-15(2)23-22(25-21(19)27)29-14-20(26)24-17-9-11-18(12-10-17)28-13-16-7-5-4-6-8-16/h4-12H,3,13-14H2,1-2H3,(H,24,26)(H,23,25,27)
InChi Info:
AuxInfo=1/1/N:1,29,2,26,25,27,24,28,16,20,17,19,22,11,4,23,15,18,3,12,8,6,5,14,7,13,9,21,10/E:(5,6)(7,8)(9,10)(11,12)/rA:29nCCCCNCNCOSCCONCCCCCCOCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s6;s10;s11;d12;s12;s14;s15;d16;s17;d18;d15s19;s18;s21;s22;s23;d24;s25;d26;d23s27;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H23N3O3S
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:11.6545
Area:665.304
Solvation:-4.97806
Coulombic:-56.9124
Bond Count [?]
All:31
Single:21
Double:10
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:409.502
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:3.98
LogP (Chemaxon):4.98

Name Annotations

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Descriptor Annotations

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