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Chemical ID: 7221621
Chemical ID:
7221621
Name [?]:
2-[4-(4-chlorophenyl)pyrimidin-2-yl]sulfanyl-N-phenyl-acetamide
SMILES [?]:
c1ccc(cc1)NC(=O)CSc2nccc(n2)c3ccc(cc3)Cl
InChi [?]:
InChI=1/C18H14ClN3OS/c19-14-8-6-13(7-9-14)16-10-11-20-18(22-16)24-12-17(23)21-15-4-2-1-3-5-15/h1-11H,12H2,(H,21,23)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,19,23,20,22,15,14,10,18,21,4,16,8,12,24,13,7,17,9,11/E:(2,3)(4,5)(6,7)(8,9)/rA:24nCCCCCCNCOCSCNCCCNCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s8;s10;s11;s12;d13;s14;d15;d12s16;s16;s18;d19;s20;d21;d18s22;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H14ClN3OS |
All Atoms: | 38 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.2023 |
Area: | 576.667 |
Solvation: | -3.21434 |
Coulombic: | -33.7395 |
Bond Count [?]
All: | 26 |
Single: | 16 |
Double: | 10 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 355.842 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.68 |
LogP (Chemaxon): | 4.61 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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