5-oxo-N~3~-(propan-2-yl)-N~8~-(prop-2-en-1-yl)-1-sulfanylidene-4,5-dihydro-1H-[1,3]thiazolo[3,4-a]quinazoline-3,8-dicarboxamide
Chemical Structure Depiction of
5-oxo-N~3~-(propan-2-yl)-N~8~-(prop-2-en-1-yl)-1-sulfanylidene-4,5-dihydro-1H-[1,3]thiazolo[3,4-a]quinazoline-3,8-dicarboxamide
5-oxo-N~3~-(propan-2-yl)-N~8~-(prop-2-en-1-yl)-1-sulfanylidene-4,5-dihydro-1H-[1,3]thiazolo[3,4-a]quinazoline-3,8-dicarboxamide
Compound characteristics
Compound ID: | K233-0906 |
Compound Name: | 5-oxo-N~3~-(propan-2-yl)-N~8~-(prop-2-en-1-yl)-1-sulfanylidene-4,5-dihydro-1H-[1,3]thiazolo[3,4-a]quinazoline-3,8-dicarboxamide |
Molecular Weight: | 402.49 |
Molecular Formula: | C18 H18 N4 O3 S2 |
Smiles: | CC(C)NC(C1=C2NC(c3ccc(cc3N2C(=S)S1)C(NCC=C)=O)=O)=O |
Stereo: | ACHIRAL |
logP: | 1.3823 |
logD: | 1.3823 |
logSw: | -2.5889 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 3 |
Polar surface area: | 75.161 |
InChI Key: | KJJJFRNBWZTNKC-UHFFFAOYSA-N |