Chemical ID: 6607667

CC(C)N(c1ccccc1)c2ccc(cc2)NC(=O)CSc3ccc(cc3)Cl
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

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Descriptor Annotations

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