Chemical ID: 6475279

CCCC(=O)Nc1ccc(cc1)c2cn3ccsc3n2
Chemical ID:
6475279
Name [?]:
N-[4-(4-thia-1,6-diazabicyclo[3.3.0]octa-2,5,7-trien-7-yl)phenyl]butanamide
SMILES [?]:
CCCC(=O)Nc1ccc(cc1)c2cn3ccsc3n2
InChi [?]:
InChI=1/C15H15N3OS/c1-2-3-14(19)16-12-6-4-11(5-7-12)13-10-18-8-9-20-15(18)17-13/h4-10H,2-3H2,1H3,(H,16,19)
InChi Info:
AuxInfo=1/1/N:1,2,3,9,11,8,12,16,17,14,10,7,13,4,19,6,20,15,5,18/E:(4,5)(6,7)/rA:20nCCCCONCCCCCCCCNCCSCN/rB:s1;s2;s3;d4;s4;s6;s7;d8;s9;d10;d7s11;s10;d13;s14;s15;d16;s17;s15s18;s13d19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H15N3OS
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:9.36867
Area:489.045
Solvation:-2.85747
Coulombic:-32.0916
Bond Count [?]
All:22
Single:15
Double:7
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:285.365
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:3.33
LogP (Chemaxon):3.42

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Descriptor Annotations

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