Chemical ID: 7214900

CCOC(=O)c1c(c2c3nc(nn3cnc2s1)c4c(cnn4C)Br)C
Chemical ID:
7214900
Name [?]:
None
SMILES [?]:
CCOC(=O)c1c(c2c3nc(nn3cnc2s1)c4c(cnn4C)Br)C
InChi [?]:
InChI=1/C15H13BrN6O2S/c1-4-24-15(23)11-7(2)9-13-19-12(10-8(16)5-18-21(10)3)20-22(13)6-17-14(9)25-11/h5-6H,4H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,25,23,2,20,14,7,19,8,18,6,11,9,16,4,24,15,21,10,12,22,13,5,3,17/rA:25nCCOCOCCCCNCNNCNCSCCCNNCBrC/rB:s1;s2;s3;d4;s4;d6;s7;s8;d9;s10;d11;s9s12;s13;d14;d8s15;s6s16;s11;d18;s19;d20;s18s21;s22;s19;s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H13BrN6O2S
All Atoms:38
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:10.8103
Area:545.405
Solvation:-2.82479
Coulombic:-41.5174
Bond Count [?]
All:28
Single:20
Double:8
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:421.273
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:1.97
LogP (Chemaxon):2.56

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Descriptor Annotations

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