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Chemical ID: 6466911
Chemical ID:
6466911
Name [?]:
4-[2-(4-chlorophenyl)sulfanylacetyl]amino-N-tert-butyl-benzamide
SMILES [?]:
CC(C)(C)NC(=O)c1ccc(cc1)NC(=O)CSc2ccc(cc2)Cl
InChi [?]:
InChI=1/C19H21ClN2O2S/c1-19(2,3)22-18(24)13-4-8-15(9-5-13)21-17(23)12-25-16-10-6-14(20)7-11-16/h4-11H,12H2,1-3H3,(H,21,23)(H,22,24)
InChi Info:
AuxInfo=1/1/N:1,3,4,9,13,21,23,10,12,20,24,17,8,22,11,19,15,6,2,25,14,5,16,7,18/E:(1,2,3)(4,5)(6,7)(8,9)(10,11)/rA:25nCCCCNCOCCCCCCNCOCSCCCCCCCl/rB:s1;s2;s2;s2;s5;d6;s6;s8;d9;s10;d11;d8s12;s11;s14;d15;s15;s17;s18;s19;d20;s21;d22;d19s23;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H21ClN2O2S |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.8118 |
Area: | 610.96 |
Solvation: | -3.46217 |
Coulombic: | -43.6801 |
Bond Count [?]
All: | 26 |
Single: | 18 |
Double: | 8 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 376.901 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 4.56 |
LogP (Chemaxon): | 3.71 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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