methyl 3-(azepane-1-carbonyl)-5-oxo-1-sulfanylidene-4,5-dihydro-1H-[1,3]thiazolo[3,4-a]quinazoline-8-carboxylate
Chemical Structure Depiction of
methyl 3-(azepane-1-carbonyl)-5-oxo-1-sulfanylidene-4,5-dihydro-1H-[1,3]thiazolo[3,4-a]quinazoline-8-carboxylate
methyl 3-(azepane-1-carbonyl)-5-oxo-1-sulfanylidene-4,5-dihydro-1H-[1,3]thiazolo[3,4-a]quinazoline-8-carboxylate
Compound characteristics
| Compound ID: | F083-0171 |
| Compound Name: | methyl 3-(azepane-1-carbonyl)-5-oxo-1-sulfanylidene-4,5-dihydro-1H-[1,3]thiazolo[3,4-a]quinazoline-8-carboxylate |
| Molecular Weight: | 417.5 |
| Molecular Formula: | C19 H19 N3 O4 S2 |
| Smiles: | COC(c1ccc2C(NC3=C(C(N4CCCCCC4)=O)SC(N3c2c1)=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9285 |
| logD: | 2.9285 |
| logSw: | -3.5645 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.129 |
| InChI Key: | GMHAAHGXHWAGID-UHFFFAOYSA-N |