Chemical ID: 4856143

c1ccc2c(c1)c(=O)c3c(o2)C(=O)N(C3c4cccc(c4)Cl)c5nccs5
Chemical ID:
4856143
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)c(=O)c3c(o2)C(=O)N(C3c4cccc(c4)Cl)c5nccs5
InChi [?]:
InChI=1/C20H11ClN2O3S/c21-12-5-3-4-11(10-12)16-15-17(24)13-6-1-2-7-14(13)26-18(15)19(25)23(16)20-22-8-9-27-20/h1-10,16H
InChi Info:
AuxInfo=1/0/N:1,2,18,17,19,6,3,25,26,21,16,20,5,4,9,15,7,10,12,23,22,24,14,8,13,11,27/rA:27cCCCCCCCOCCOCONCCCCCCCClCNCCS/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;d9;s4s10;s10;d12;s12;s9s14;s15;s16;d17;s18;d19;d16s20;s20;s14;d23;s24;d25;s23s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H11ClN2O3S
All Atoms:27
Heavy Atoms:27
Chiral Atoms:1
ZAP Information [?]
Total:10.5092
Area:561.054
Solvation:-3.51712
Coulombic:-41.2176
Bond Count [?]
All:31
Single:20
Double:11
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:394.832
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:3.18
LogP (Chemaxon):4.12

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