Chemical ID: 6261316

Cc1nc2c(s1)ccc3c2sc(n3)NC(=O)c4ccc5ccccc5c4
Chemical ID:
6261316
Name [?]:
None
SMILES [?]:
Cc1nc2c(s1)ccc3c2sc(n3)NC(=O)c4ccc5ccccc5c4
InChi [?]:
InChI=1/C20H13N3OS2/c1-11-21-17-16(25-11)9-8-15-18(17)26-20(22-15)23-19(24)14-7-6-12-4-2-3-5-13(12)10-14/h2-10H,1H3,(H,22,23,24)
InChi Info:
AuxInfo=1/1/N:1,22,23,21,24,19,18,8,7,26,2,20,25,17,9,5,4,10,15,12,3,13,14,16,6,11/rA:26nCCNCCSCCCCSCNNCOCCCCCCCCCC/rB:s1;d2;s3;s4;s2s5;d5;s7;d8;d4s9;s10;s11;s9d12;s12;s14;d15;s15;s17;d18;s19;s20;d21;s22;d23;d20s24;d17s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H13N3OS2
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:11.5559
Area:575.058
Solvation:-2.82058
Coulombic:-34.0244
Bond Count [?]
All:30
Single:19
Double:11
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:375.469
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:3.94
LogP (Chemaxon):5.55

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Descriptor Annotations

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