Chemical ID: 6466911

CC(C)(C)NC(=O)c1ccc(cc1)NC(=O)CSc2ccc(cc2)Cl
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

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