Chemical ID: 7082213

Cc1cc2c(cc1C)oc3c(c2=O)C(N(C3=O)c4nccs4)c5cccc(c5)Cl
Chemical ID:
7082213
Name [?]:
None
SMILES [?]:
Cc1cc2c(cc1C)oc3c(c2=O)C(N(C3=O)c4nccs4)c5cccc(c5)Cl
InChi [?]:
InChI=1/C22H15ClN2O3S/c1-11-8-15-16(9-12(11)2)28-20-17(19(15)26)18(13-4-3-5-14(23)10-13)25(21(20)27)22-24-6-7-29-22/h3-10,18H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,8,25,24,26,20,21,3,6,28,2,7,23,27,4,5,11,14,12,10,16,18,29,19,15,13,17,9,22/rA:29cCCCCCCCCOCCCOCNCOCNCCSCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;d10;s4s11;d12;s11;s14;s10s15;d16;s15;d18;s19;d20;s18s21;s14;s23;d24;s25;d26;d23s27;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H15ClN2O3S
All Atoms:44
Heavy Atoms:29
Chiral Atoms:1
ZAP Information [?]
Total:11.5229
Area:600.174
Solvation:-3.48147
Coulombic:-40.8175
Bond Count [?]
All:33
Single:22
Double:11
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:422.885
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:4.05
LogP (Chemaxon):5.05

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Descriptor Annotations

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