Chemical ID: 4554899

Cc1ccc2c(c1)C3CN(CCC3N2C(=S)Nc4ccccc4)C
Chemical ID:
4554899
Name [?]:
None
SMILES [?]:
Cc1ccc2c(c1)C3CN(CCC3N2C(=S)Nc4ccccc4)C
InChi [?]:
InChI=1/C20H23N3S/c1-14-8-9-18-16(12-14)17-13-22(2)11-10-19(17)23(18)20(24)21-15-6-4-3-5-7-15/h3-9,12,17,19H,10-11,13H2,1-2H3,(H,21,24)
InChi Info:
AuxInfo=1/1/N:1,24,21,20,22,19,23,3,4,12,11,7,9,2,18,6,8,5,13,15,17,10,14,16/E:(4,5)(6,7)/rA:24cCCCCCCCCCNCCCNCSNCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;s10;s11;s8s12;s5s13;s14;d15;s15;s17;s18;d19;s20;d21;d18s22;s10;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H23N3S
All Atoms:24
Heavy Atoms:24
Chiral Atoms:3
ZAP Information [?]
Total:11.1094
Area:520.514
Solvation:-1.90345
Coulombic:-25.581
Bond Count [?]
All:27
Single:20
Double:7
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:337.483
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.13
LogP (Chemaxon):4.13

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Descriptor Annotations

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