Chemical ID: 4860043

CCn1c(nc2c3cc4c(nc3sc2c1=O)CC(OC4)(C)C)C
Chemical ID:
4860043
Name [?]:
None
SMILES [?]:
CCn1c(nc2c3cc4c(nc3sc2c1=O)CC(OC4)(C)C)C
InChi [?]:
InChI=1/C17H19N3O2S/c1-5-20-9(2)18-13-11-6-10-8-22-17(3,4)7-12(10)19-15(11)23-14(13)16(20)21/h6H,5,7-8H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,23,21,22,2,8,17,20,4,9,7,10,6,14,12,15,18,5,11,3,16,19,13/E:(3,4)/rA:23nCCNCNCCCCCNCSCCOCCOCCCC/rB:s1;s2;s3;d4;s5;s6;s7;d8;s9;d10;d7s11;s12;d6s13;s3s14;d15;s10;s17;s18;s9s19;s18;s18;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H19N3O2S
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:9.36135
Area:502.13
Solvation:-3.19191
Coulombic:-34.4494
Bond Count [?]
All:26
Single:20
Double:6
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:329.418
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:1.54
LogP (Chemaxon):2.35

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Experimental Annotations

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Descriptor Annotations

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