Chemical ID: 5278879

CCCc1c2c(c3c4c(c(ncn4)N5CCCC5)sc3n1)CCC2
Chemical ID:
5278879
Name [?]:
None
SMILES [?]:
CCCc1c2c(c3c4c(c(ncn4)N5CCCC5)sc3n1)CCC2
InChi [?]:
InChI=1/C19H22N4S/c1-2-6-14-12-7-5-8-13(12)15-16-17(24-19(15)22-14)18(21-11-20-16)23-9-3-4-10-23/h11H,2-10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,16,17,23,3,24,22,15,18,12,5,6,4,7,8,9,10,20,13,11,21,14,19/E:(3,4)(9,10)/rA:24nCCCCCCCCCCNCNNCCCCSCNCCC/rB:s1;s2;s3;s4;d5;s6;s7;s8;d9;s10;d11;d8s12;s10;s14;s15;s16;s14s17;s9;d7s19;d4s20;s6;s22;s5s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H22N4S
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:11.4216
Area:525.531
Solvation:-1.71667
Coulombic:-23.667
Bond Count [?]
All:28
Single:22
Double:6
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:338.471
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:4.03
LogP (Chemaxon):5.16

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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