N-(4-nitrophenyl)-5-oxo-1-sulfanylidene-4,5-dihydro-1H-[1,3]thiazolo[3,4-a]quinazoline-3-carboxamide
Chemical Structure Depiction of
N-(4-nitrophenyl)-5-oxo-1-sulfanylidene-4,5-dihydro-1H-[1,3]thiazolo[3,4-a]quinazoline-3-carboxamide
N-(4-nitrophenyl)-5-oxo-1-sulfanylidene-4,5-dihydro-1H-[1,3]thiazolo[3,4-a]quinazoline-3-carboxamide
Compound characteristics
| Compound ID: | F083-0221 |
| Compound Name: | N-(4-nitrophenyl)-5-oxo-1-sulfanylidene-4,5-dihydro-1H-[1,3]thiazolo[3,4-a]quinazoline-3-carboxamide |
| Molecular Weight: | 398.42 |
| Molecular Formula: | C17 H10 N4 O4 S2 |
| Smiles: | c1ccc2c(c1)C(NC1=C(C(Nc3ccc(cc3)[N+]([O-])=O)=O)SC(N12)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9303 |
| logD: | 2.93 |
| logSw: | -3.9574 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.449 |
| InChI Key: | UFQFGVWFMFDLFP-UHFFFAOYSA-N |