Chemical ID: 6270630

COCCn1c2ccccc2sc1=NC(=O)c3cc4c5ccccc5ccc4oc3=O
Chemical ID:
6270630
Name [?]:
None
SMILES [?]:
COCCn1c2ccccc2sc1=NC(=O)c3cc4c5ccccc5ccc4oc3=O
InChi [?]:
InChI=1/C24H18N2O4S/c1-29-13-12-26-19-8-4-5-9-21(19)31-24(26)25-22(27)18-14-17-16-7-3-2-6-15(16)10-11-20(17)30-23(18)28/h2-11,14H,12-13H2,1H3
InChi Info:
AuxInfo=1/0/N:1,23,22,8,9,24,21,7,10,26,27,4,3,18,25,20,19,17,6,28,11,15,30,13,14,5,16,31,2,29,12/rA:31nCOCCNCCCCCCSCNCOCCCCCCCCCCCCOCO/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s11;s5s12;w13;s14;d15;s15;d17;s18;s19;s20;d21;s22;d23;d20s24;s25;d26;d19s27;s28;s17s29;d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H18N2O4S
All Atoms:31
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:10.3252
Area:605.613
Solvation:-4.81514
Coulombic:-51.2421
Bond Count [?]
All:35
Single:23
Double:12
Rotors:5
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:430.477
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:4.59
LogP (Chemaxon):5.53

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Descriptor Annotations

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