Chemical ID: 7222197

Cc1ccccc1NC(=O)CSc2nccc(n2)c3ccc4ccccc4c3
Chemical ID:
7222197
Name [?]:
2-[4-(2-naphthyl)pyrimidin-2-yl]sulfanyl-N-(o-tolyl)acetamide
SMILES [?]:
Cc1ccccc1NC(=O)CSc2nccc(n2)c3ccc4ccccc4c3
InChi [?]:
InChI=1/C23H19N3OS/c1-16-6-2-5-9-20(16)25-22(27)15-28-23-24-13-12-21(26-23)19-11-10-17-7-3-4-8-18(17)14-19/h2-14H,15H2,1H3,(H,25,27)
InChi Info:
AuxInfo=1/1/N:1,4,24,25,5,3,23,26,6,21,20,16,15,28,11,2,22,27,19,7,17,9,13,14,8,18,10,12/rA:28nCCCCCCCNCOCSCNCCCNCCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;s12;s13;d14;s15;d16;d13s17;s17;s19;d20;s21;s22;d23;s24;d25;d22s26;d19s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H19N3OS
All Atoms:47
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:12.0016
Area:615.82
Solvation:-3.39393
Coulombic:-34.2313
Bond Count [?]
All:31
Single:19
Double:12
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:385.483
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.55
LogP (Chemaxon):4.91

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Descriptor Annotations

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