Chemical ID: 7215241

CCN(CC)C(=O)c1c(c2c3nc(nn3cnc2s1)c4c(c(nn4C)C)Cl)C
Chemical ID:
7215241
Name [?]:
None
SMILES [?]:
CCN(CC)C(=O)c1c(c2c3nc(nn3cnc2s1)c4c(c(nn4C)C)Cl)C
InChi [?]:
InChI=1/C18H20ClN7OS/c1-6-25(7-2)18(27)14-9(3)11-16-21-15(13-12(19)10(4)22-24(13)5)23-26(16)8-20-17(11)28-14/h8H,6-7H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,5,28,26,25,2,4,16,9,22,10,21,20,8,13,11,18,6,27,17,12,23,14,24,3,15,7,19/E:(1,2)(6,7)/rA:28nCCNCCCOCCCCNCNNCNCSCCCNNCCClC/rB:s1;s2;s3;s4;s3;d6;s6;d8;s9;s10;d11;s12;d13;s11s14;s15;d16;d10s17;s8s18;s13;d20;s21;d22;s20s23;s24;s22;s21;s9;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H20ClN7OS
All Atoms:48
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:12.1262
Area:587.163
Solvation:-2.55293
Coulombic:-40.1521
Bond Count [?]
All:31
Single:23
Double:8
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:417.917
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:1.97
LogP (Chemaxon):2.39

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Descriptor Annotations

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