Chemical ID: 5270783

CCCCN(CC)c1c2c(c3c4c(c(nc3s2)CCC)CCC4)ncn1
Chemical ID:
5270783
Name [?]:
None
SMILES [?]:
CCCCN(CC)c1c2c(c3c4c(c(nc3s2)CCC)CCC4)ncn1
InChi [?]:
InChI=1/C21H28N4S/c1-4-7-12-25(6-3)20-19-18(22-13-23-20)17-15-11-8-10-14(15)16(9-5-2)24-21(17)26-19/h13H,4-12H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,20,7,2,19,6,3,22,18,21,23,4,25,13,12,14,11,10,9,8,16,24,26,15,5,17/rA:26nCCCCNCCCCCCCCCNCSCCCCCCNCN/rB:s1;s2;s3;s4;s5;s6;s5;s8;d9;s10;s11;d12;s13;d14;d11s15;s9s16;s14;s18;s19;s13;s21;s12s22;s10;d24;d8s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H28N4S
All Atoms:26
Heavy Atoms:26
Chiral Atoms:1
ZAP Information [?]
Total:13.2576
Area:595.438
Solvation:-1.62836
Coulombic:-24.7391
Bond Count [?]
All:29
Single:23
Double:6
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:368.54
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:5.3
LogP (Chemaxon):6.39

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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