Chemical ID: 7082202

Cc1cc2c(cc1C)oc3c(c2=O)C(N(C3=O)c4nccs4)c5ccc(cc5)OC
Chemical ID:
7082202
Name [?]:
None
SMILES [?]:
Cc1cc2c(cc1C)oc3c(c2=O)C(N(C3=O)c4nccs4)c5ccc(cc5)OC
InChi [?]:
InChI=1/C23H18N2O4S/c1-12-10-16-17(11-13(12)2)29-21-18(20(16)26)19(14-4-6-15(28-3)7-5-14)25(22(21)27)23-24-8-9-30-23/h4-11,19H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,8,30,24,28,25,27,20,21,3,6,2,7,23,26,4,5,11,14,12,10,16,18,19,15,13,17,29,9,22/E:(4,5)(6,7)/rA:30cCCCCCCCCOCCCOCNCOCNCCSCCCCCCOC/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;s26;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H18N2O4S
All Atoms:48
Heavy Atoms:30
Chiral Atoms:1
ZAP Information [?]
Total:10.2546
Area:603.226
Solvation:-4.82604
Coulombic:-46.9484
Bond Count [?]
All:34
Single:23
Double:11
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:418.466
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:3.35
LogP (Chemaxon):4.28

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Descriptor Annotations

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