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Chemical ID: 7222197
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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