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Chemical ID: 6607667
Chemical ID:
6607667
Name [?]:
2-(4-chlorophenyl)sulfanyl-N-[4-(isopropyl-phenyl-amino)phenyl]-acetamide
SMILES [?]:
CC(C)N(c1ccccc1)c2ccc(cc2)NC(=O)CSc3ccc(cc3)Cl
InChi [?]:
InChI=1/C23H23ClN2OS/c1-17(2)26(20-6-4-3-5-7-20)21-12-10-19(11-13-21)25-23(27)16-28-22-14-8-18(24)9-15-22/h3-15,17H,16H2,1-2H3,(H,25,27)
InChi Info:
AuxInfo=1/1/N:1,3,8,7,9,6,10,24,26,13,15,12,16,23,27,20,2,25,14,5,11,22,18,28,17,4,19,21/E:(1,2)(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)/rA:28nCCCNCCCCCCCCCCCCNCOCSCCCCCCCl/rB:s1;s2;s2;s4;s5;d6;s7;d8;d5s9;s4;s11;d12;s13;d14;d11s15;s14;s17;d18;s18;s20;s21;s22;d23;s24;d25;d22s26;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H23ClN2OS |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 13.0661 |
Area: | 653.282 |
Solvation: | -3.26595 |
Coulombic: | -29.2434 |
Bond Count [?]
All: | 30 |
Single: | 20 |
Double: | 10 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 410.96 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 6.52 |
LogP (Chemaxon): | 6.23 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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