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Chemical ID: 7221237
Chemical ID:
7221237
Name [?]:
2-[4-(4-bromophenyl)pyrimidin-2-yl]sulfanyl-N-(p-tolyl)acetamide
SMILES [?]:
Cc1ccc(cc1)NC(=O)CSc2nccc(n2)c3ccc(cc3)Br
InChi [?]:
InChI=1/C19H16BrN3OS/c1-13-2-8-16(9-3-13)22-18(24)12-25-19-21-11-10-17(23-19)14-4-6-15(20)7-5-14/h2-11H,12H2,1H3,(H,22,24)
InChi Info:
AuxInfo=1/1/N:1,3,7,20,24,21,23,4,6,16,15,11,2,19,22,5,17,9,13,25,14,8,18,10,12/E:(2,3)(4,5)(6,7)(8,9)/rA:25nCCCCCCCNCOCSCNCCCNCCCCCCBr/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s9;s11;s12;s13;d14;s15;d16;d13s17;s17;s19;d20;s21;d22;d19s23;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H16BrN3OS |
All Atoms: | 41 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.6187 |
Area: | 591.299 |
Solvation: | -3.16372 |
Coulombic: | -33.1958 |
Bond Count [?]
All: | 27 |
Single: | 17 |
Double: | 10 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 414.32 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.3 |
LogP (Chemaxon): | 5.35 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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