7-chloro-N-(2,5-diethoxyphenyl)-5-oxo-1-sulfanylidene-4,5-dihydro-1H-[1,3]thiazolo[3,4-a]quinazoline-3-carboxamide
Chemical Structure Depiction of
7-chloro-N-(2,5-diethoxyphenyl)-5-oxo-1-sulfanylidene-4,5-dihydro-1H-[1,3]thiazolo[3,4-a]quinazoline-3-carboxamide
7-chloro-N-(2,5-diethoxyphenyl)-5-oxo-1-sulfanylidene-4,5-dihydro-1H-[1,3]thiazolo[3,4-a]quinazoline-3-carboxamide
Compound characteristics
| Compound ID: | F083-0055 |
| Compound Name: | 7-chloro-N-(2,5-diethoxyphenyl)-5-oxo-1-sulfanylidene-4,5-dihydro-1H-[1,3]thiazolo[3,4-a]quinazoline-3-carboxamide |
| Molecular Weight: | 475.97 |
| Molecular Formula: | C21 H18 Cl N3 O4 S2 |
| Smiles: | CCOc1ccc(c(c1)NC(C1=C2NC(c3cc(ccc3N2C(=S)S1)[Cl])=O)=O)OCC |
| Stereo: | ACHIRAL |
| logP: | 4.2959 |
| logD: | 4.2958 |
| logSw: | -4.5599 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.703 |
| InChI Key: | AQBORHSTRCPPDC-UHFFFAOYSA-N |