Chemical ID: 6267103

CCn1c2c(cccc2sc1=NC(=O)c3cc4c5ccccc5ccc4oc3=O)OC
Chemical ID:
6267103
Name [?]:
None
SMILES [?]:
CCn1c2c(cccc2sc1=NC(=O)c3cc4c5ccccc5ccc4oc3=O)OC
InChi [?]:
InChI=1/C24H18N2O4S/c1-3-26-21-19(29-2)9-6-10-20(21)31-24(26)25-22(27)17-13-16-15-8-5-4-7-14(15)11-12-18(16)30-23(17)28/h4-13H,3H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,31,2,21,20,7,22,19,6,8,24,25,16,23,18,17,15,26,5,9,4,13,28,11,12,3,14,29,30,27,10/rA:31nCCNCCCCCCSCNCOCCCCCCCCCCCCOCOOC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s3s10;w11;s12;d13;s13;d15;s16;s17;s18;d19;s20;d21;d18s22;s23;d24;d17s25;s26;s15s27;d28;s5;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H18N2O4S
All Atoms:31
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:10.5566
Area:596.328
Solvation:-4.35163
Coulombic:-50.7469
Bond Count [?]
All:35
Single:23
Double:12
Rotors:4
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:430.477
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:5.12
LogP (Chemaxon):5.78

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Descriptor Annotations

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