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Chemical ID: 6804948
Chemical ID:
6804948
Name [?]:
N-butyl-5-ethyl-4-oxo-2-thia-5-azabicyclo[4.4.0]deca-7,9,11-triene-8-carboxamide
SMILES [?]:
CCCCNC(=O)c1ccc2c(c1)N(C(=O)CS2)CC
InChi [?]:
InChI=1/C15H20N2O2S/c1-3-5-8-16-15(19)11-6-7-13-12(9-11)17(4-2)14(18)10-20-13/h6-7,9H,3-5,8,10H2,1-2H3,(H,16,19)
InChi Info:
AuxInfo=1/1/N:1,20,2,19,3,9,10,4,13,17,8,12,11,15,6,5,14,16,7,18/rA:20nCCCCNCOCCCCCCNCOCSCC/rB:s1;s2;s3;s4;s5;d6;s6;s8;d9;s10;d11;d8s12;s12;s14;d15;s15;s11s17;s14;s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H20N2O2S |
All Atoms: | 40 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.92756 |
Area: | 498.626 |
Solvation: | -2.53809 |
Coulombic: | -38.6652 |
Bond Count [?]
All: | 21 |
Single: | 16 |
Double: | 5 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 292.398 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 2.54 |
LogP (Chemaxon): | 1.63 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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