Chemical ID: 4092369

Cc1cc(c(n1C)C)C=c2c(=O)n3c4ccccc4nc3s2
Chemical ID:
4092369
Name [?]:
None
SMILES [?]:
Cc1cc(c(n1C)C)C=c2c(=O)n3c4ccccc4nc3s2
InChi [?]:
InChI=1/C17H15N3OS/c1-10-8-12(11(2)19(10)3)9-15-16(21)20-14-7-5-4-6-13(14)18-17(20)22-15/h4-9H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,8,7,17,16,18,15,3,9,2,5,4,19,14,10,11,21,20,6,13,12,22/rA:22nCCCCCNCCCCCONCCCCCCNCS/rB:s1;d2;s3;d4;s2s5;s6;s5;s4;w9;s10;d11;s11;s13;s14;d15;s16;d17;d14s18;s19;s13d20;s10s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H15N3OS
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:10.1091
Area:488.016
Solvation:-2.09131
Coulombic:-28.6041
Bond Count [?]
All:25
Single:17
Double:8
Rotors:1
Chiral:1
Rigid Segments:2
Chemical Properties
Molecular Weight:309.387
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:2.27
LogP (Chemaxon):3.34

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Descriptor Annotations

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