Chemical ID: 5622885

C=CCn1c(=O)c2ccccc2n3c1nnc3SCC(=O)NC4CC4
Chemical ID:
5622885
Name [?]:
None
SMILES [?]:
C=CCn1c(=O)c2ccccc2n3c1nnc3SCC(=O)NC4CC4
InChi [?]:
InChI=1/C17H17N5O2S/c1-2-9-21-15(24)12-5-3-4-6-13(12)22-16(21)19-20-17(22)25-10-14(23)18-11-7-8-11/h2-6,11H,1,7-10H2,(H,18,23)
InChi Info:
AuxInfo=1/1/N:1,2,9,10,8,11,24,25,3,19,23,7,12,20,5,14,17,22,15,16,4,13,21,6,18/E:(7,8)/rA:25nCCCNCOCCCCCCNCNNCSCCONCCC/rB:d1;s2;s3;s4;d5;s5;s7;d8;s9;d10;d7s11;s12;s4s13;d14;s15;s13d16;s17;s18;s19;d20;s20;s22;s23;s23s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H17N5O2S
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:11.1151
Area:558.859
Solvation:-2.85642
Coulombic:-52.3327
Bond Count [?]
All:28
Single:20
Double:8
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:355.415
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.32
LogP (Chemaxon):1.46

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Descriptor Annotations

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