Chemical ID: 5293439

CCN(CCO)c1c2c(c3c4c(c(nc3s2)N5CCOCC5)CCC4)ncn1
Chemical ID:
5293439
Name [?]:
None
SMILES [?]:
CCN(CCO)c1c2c(c3c4c(c(nc3s2)N5CCOCC5)CCC4)ncn1
InChi [?]:
InChI=1/C20H25N5O2S/c1-2-24(6-9-26)19-17-16(21-12-22-19)15-13-4-3-5-14(13)18(23-20(15)28-17)25-7-10-27-11-8-25/h12,26H,2-11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,24,25,23,4,18,22,5,19,21,27,11,12,10,9,8,13,7,15,26,28,14,3,17,6,20,16/E:(7,8)(10,11)/rA:28nCCNCCOCCCCCCCNCSNCCOCCCCCNCN/rB:s1;s2;s3;s4;s5;s3;s7;d8;s9;s10;d11;s12;d13;d10s14;s8s15;s13;s17;s18;s19;s20;s17s21;s12;s23;s11s24;s9;d26;d7s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H25N5O2S
All Atoms:28
Heavy Atoms:28
Chiral Atoms:1
ZAP Information [?]
Total:9.55114
Area:584.604
Solvation:-5.06396
Coulombic:-53.794
Bond Count [?]
All:32
Single:26
Double:6
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:399.511
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:2.64
LogP (Chemaxon):4.16

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