Chemical ID: 5663069

Cc1ccc(cc1)CNC(=O)CN2c3cccc4c3c(ccc4)S2(=O)=O
Chemical ID:
5663069
Name [?]:
None
SMILES [?]:
Cc1ccc(cc1)CNC(=O)CN2c3cccc4c3c(ccc4)S2(=O)=O
InChi [?]:
InChI=1/C20H18N2O3S/c1-14-8-10-15(11-9-14)12-21-19(23)13-22-17-6-2-4-16-5-3-7-18(20(16)17)26(22,24)25/h2-11H,12-13H2,1H3,(H,21,23)
InChi Info:
AuxInfo=1/1/N:1,16,22,17,23,15,21,3,7,4,6,8,12,2,5,18,14,20,10,19,9,13,11,25,26,24/E:(8,9)(10,11)(24,25)/CRV:26.6/rA:26cCCCCCCCCNCOCNCCCCCCCCCCSOO/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;d10;s10;s12;s13;s14;d15;s16;d17;d14s18;s19;d20;s21;s18d22;s13s20;d24;d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H18N2O3S
All Atoms:26
Heavy Atoms:26
Chiral Atoms:1
ZAP Information [?]
Total:10.198
Area:559.932
Solvation:-3.80027
Coulombic:-29.5693
Bond Count [?]
All:29
Single:18
Double:11
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:366.435
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.84
LogP (Chemaxon):2.98

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Descriptor Annotations

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