Chemical ID: 7215173

CCOC(=O)c1c(c2c3nc(nn3cnc2s1)CCn4c(c(c(n4)C)Cl)C)C
Chemical ID:
7215173
Name [?]:
None
SMILES [?]:
CCOC(=O)c1c(c2c3nc(nn3cnc2s1)CCn4c(c(c(n4)C)Cl)C)C
InChi [?]:
InChI=1/C18H19ClN6O2S/c1-5-27-18(26)15-9(2)13-16-21-12(23-25(16)8-20-17(13)28-15)6-7-24-11(4)14(19)10(3)22-24/h8H,5-7H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,28,25,27,2,18,19,14,7,23,21,11,8,22,6,9,16,4,26,15,10,24,12,20,13,5,3,17/rA:28nCCOCOCCCCNCNNCNCSCCNCCCNCClCC/rB:s1;s2;s3;d4;s4;d6;s7;s8;d9;s10;d11;s9s12;s13;d14;d8s15;s6s16;s11;s18;s19;s20;d21;s22;s20d23;s23;s22;s21;s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H19ClN6O2S
All Atoms:47
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:13.0902
Area:643.184
Solvation:-2.98938
Coulombic:-40.2849
Bond Count [?]
All:31
Single:23
Double:8
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:418.901
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:2.09
LogP (Chemaxon):3.53

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Descriptor Annotations

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