Chemical ID: 6274906

C=CCn1c2ccc(cc2sc1=NC(=O)c3cc4c5ccccc5ccc4oc3=O)S(=O)(=O)N
Chemical ID:
6274906
Name [?]:
None
SMILES [?]:
C=CCn1c2ccc(cc2sc1=NC(=O)c3cc4c5ccccc5ccc4oc3=O)S(=O)(=O)N
InChi [?]:
InChI=1/C24H17N3O5S2/c1-2-11-27-19-9-8-15(34(25,30)31)12-21(19)33-24(27)26-22(28)18-13-17-16-6-4-3-5-14(16)7-10-20(17)32-23(18)29/h2-10,12-13H,1,11H2,(H2,25,30,31)
InChi Info:
AuxInfo=1/1/N:1,2,22,21,23,20,25,7,6,26,3,9,17,24,8,19,18,16,5,27,10,14,29,12,34,13,4,15,30,32,33,28,11,31/E:(30,31)/CRV:34.6/rA:34nCCCNCCCCCCSCNCOCCCCCCCCCCCCOCOSOON/rB:d1;s2;s3;s4;s5;d6;s7;d8;d5s9;s10;s4s11;w12;s13;d14;s14;d16;s17;s18;s19;d20;s21;d22;d19s23;s24;d25;d18s26;s27;s16s28;d29;s8;d31;d31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H17N3O5S2
All Atoms:34
Heavy Atoms:34
Chiral Atoms:0
ZAP Information [?]
Total:11.8198
Area:666.871
Solvation:-4.85197
Coulombic:-59.1607
Bond Count [?]
All:38
Single:23
Double:15
Rotors:5
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:491.541
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:3.86
LogP (Chemaxon):5.06

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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