methyl 5-oxo-3-(pyrrolidine-1-carbonyl)-1-sulfanylidene-4,5-dihydro-1H-[1,3]thiazolo[3,4-a]quinazoline-8-carboxylate
Chemical Structure Depiction of
methyl 5-oxo-3-(pyrrolidine-1-carbonyl)-1-sulfanylidene-4,5-dihydro-1H-[1,3]thiazolo[3,4-a]quinazoline-8-carboxylate
methyl 5-oxo-3-(pyrrolidine-1-carbonyl)-1-sulfanylidene-4,5-dihydro-1H-[1,3]thiazolo[3,4-a]quinazoline-8-carboxylate
Compound characteristics
| Compound ID: | F083-0156 |
| Compound Name: | methyl 5-oxo-3-(pyrrolidine-1-carbonyl)-1-sulfanylidene-4,5-dihydro-1H-[1,3]thiazolo[3,4-a]quinazoline-8-carboxylate |
| Molecular Weight: | 389.45 |
| Molecular Formula: | C17 H15 N3 O4 S2 |
| Smiles: | COC(c1ccc2C(NC3=C(C(N4CCCC4)=O)SC(N3c2c1)=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1453 |
| logD: | 2.1453 |
| logSw: | -3.1369 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.164 |
| InChI Key: | BQRFUZNPCJCUFR-UHFFFAOYSA-N |