Chemical ID: 7215394

CCOC(=O)c1c(c2c3nc(nn3cnc2s1)c4ccccc4O)C
Chemical ID:
7215394
Name [?]:
None
SMILES [?]:
CCOC(=O)c1c(c2c3nc(nn3cnc2s1)c4ccccc4O)C
InChi [?]:
InChI=1/C17H14N4O3S/c1-3-24-17(23)13-9(2)12-15-19-14(10-6-4-5-7-11(10)22)20-21(15)8-18-16(12)25-13/h4-8,22H,3H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,25,2,20,21,19,22,14,7,18,23,8,6,11,9,16,4,15,10,12,13,24,5,3,17/rA:25nCCOCOCCCCNCNNCNCSCCCCCCOC/rB:s1;s2;s3;d4;s4;d6;s7;s8;d9;s10;d11;s9s12;s13;d14;d8s15;s6s16;s11;s18;d19;s20;d21;d18s22;s23;s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H14N4O3S
All Atoms:39
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:10.4538
Area:544.101
Solvation:-3.14869
Coulombic:-53.9843
Bond Count [?]
All:28
Single:19
Double:9
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:354.384
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.26
LogP (Chemaxon):3.44

Name Annotations

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Descriptor Annotations

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