Chemical ID: 4903154

CCCCc1c2c(c3c4c(c(ncn4)N(C)CCO)sc3n1)CCC2
Chemical ID:
4903154
Name [?]:
None
SMILES [?]:
CCCCc1c2c(c3c4c(c(ncn4)N(C)CCO)sc3n1)CCC2
InChi [?]:
InChI=1/C19H24N4OS/c1-3-4-8-14-12-6-5-7-13(12)15-16-17(25-19(15)22-14)18(21-11-20-16)23(2)9-10-24/h11,24H,3-10H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,16,2,3,24,25,23,4,17,18,13,6,7,5,8,9,10,11,21,14,12,22,15,19,20/rA:25cCCCCCCCCCCCNCNNCCCOSCNCCC/rB:s1;s2;s3;s4;s5;d6;s7;s8;s9;d10;s11;d12;d9s13;s11;s15;s15;s17;s18;s10;d8s20;d5s21;s7;s23;s6s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H24N4OS
All Atoms:25
Heavy Atoms:25
Chiral Atoms:1
ZAP Information [?]
Total:10.4315
Area:562.359
Solvation:-3.62744
Coulombic:-39.5255
Bond Count [?]
All:28
Single:22
Double:6
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:356.486
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:3.38
LogP (Chemaxon):4.79

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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