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Chemical ID: 6731428
Chemical ID:
6731428
Name [?]:
10-ethyl-N-isopropyl-9-oxo-7-thia-10-azabicyclo[4.4.0]deca-2,4,11-triene-3-carboxamide
SMILES [?]:
CCN1c2cc(ccc2SCC1=O)C(=O)NC(C)C
InChi [?]:
InChI=1/C14H18N2O2S/c1-4-16-11-7-10(14(18)15-9(2)3)5-6-12(11)19-8-13(16)17/h5-7,9H,4,8H2,1-3H3,(H,15,18)
InChi Info:
AuxInfo=1/1/N:1,18,19,2,7,8,5,11,17,6,4,9,12,14,16,3,13,15,10/E:(2,3)/rA:19nCCNCCCCCCSCCOCONCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s3s11;d12;s6;d14;s14;s16;s17;s17;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H18N2O2S |
All Atoms: | 37 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.06075 |
Area: | 462.463 |
Solvation: | -2.50083 |
Coulombic: | -38.1061 |
Bond Count [?]
All: | 20 |
Single: | 15 |
Double: | 5 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 278.371 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 2.07 |
LogP (Chemaxon): | 1.18 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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