methyl 5-oxo-1-sulfanylidene-3-{[(thiophen-2-yl)methyl]carbamoyl}-4,5-dihydro-1H-[1,3]thiazolo[3,4-a]quinazoline-8-carboxylate
Chemical Structure Depiction of
methyl 5-oxo-1-sulfanylidene-3-{[(thiophen-2-yl)methyl]carbamoyl}-4,5-dihydro-1H-[1,3]thiazolo[3,4-a]quinazoline-8-carboxylate
methyl 5-oxo-1-sulfanylidene-3-{[(thiophen-2-yl)methyl]carbamoyl}-4,5-dihydro-1H-[1,3]thiazolo[3,4-a]quinazoline-8-carboxylate
Compound characteristics
| Compound ID: | F083-0175 |
| Compound Name: | methyl 5-oxo-1-sulfanylidene-3-{[(thiophen-2-yl)methyl]carbamoyl}-4,5-dihydro-1H-[1,3]thiazolo[3,4-a]quinazoline-8-carboxylate |
| Molecular Weight: | 431.51 |
| Molecular Formula: | C18 H13 N3 O4 S3 |
| Smiles: | COC(c1ccc2C(NC3=C(C(NCc4cccs4)=O)SC(N3c2c1)=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8208 |
| logD: | 2.8208 |
| logSw: | -3.5945 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.582 |
| InChI Key: | YXFPMXUDLGTXBV-UHFFFAOYSA-N |