Chemical ID: 6109721

Cc1ccc2c(c1)C(=Nc3ccccc3S2)N4CCN(CC4)C
Chemical ID:
6109721
Name [?]:
None
SMILES [?]:
Cc1ccc2c(c1)C(=Nc3ccccc3S2)N4CCN(CC4)C
InChi [?]:
InChI=1/C19H21N3S/c1-14-7-8-17-15(13-14)19(22-11-9-21(2)10-12-22)20-16-5-3-4-6-18(16)23-17/h3-8,13H,9-12H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,23,12,13,11,14,3,4,19,21,18,22,7,2,6,10,5,15,8,9,20,17,16/E:(9,10)(11,12)/rA:23nCCCCCCCCNCCCCCCSNCCNCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s9;s10;d11;s12;d13;d10s14;s5s15;s8;s17;s18;s19;s20;s17s21;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H21N3S
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:10.6251
Area:500.911
Solvation:-1.89771
Coulombic:-19.8652
Bond Count [?]
All:26
Single:19
Double:7
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:323.456
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:4.16
LogP (Chemaxon):4.89

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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