methyl 3-{[(4-methoxyphenyl)methyl]carbamoyl}-5-oxo-1-sulfanylidene-4,5-dihydro-1H-[1,3]thiazolo[3,4-a]quinazoline-8-carboxylate
Chemical Structure Depiction of
methyl 3-{[(4-methoxyphenyl)methyl]carbamoyl}-5-oxo-1-sulfanylidene-4,5-dihydro-1H-[1,3]thiazolo[3,4-a]quinazoline-8-carboxylate
methyl 3-{[(4-methoxyphenyl)methyl]carbamoyl}-5-oxo-1-sulfanylidene-4,5-dihydro-1H-[1,3]thiazolo[3,4-a]quinazoline-8-carboxylate
Compound characteristics
| Compound ID: | F083-0167 |
| Compound Name: | methyl 3-{[(4-methoxyphenyl)methyl]carbamoyl}-5-oxo-1-sulfanylidene-4,5-dihydro-1H-[1,3]thiazolo[3,4-a]quinazoline-8-carboxylate |
| Molecular Weight: | 455.51 |
| Molecular Formula: | C21 H17 N3 O5 S2 |
| Smiles: | COC(c1ccc2C(NC3=C(C(NCc4ccc(cc4)OC)=O)SC(N3c2c1)=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8282 |
| logD: | 2.8282 |
| logSw: | -3.6035 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.107 |
| InChI Key: | RETDAIGURGGQRY-UHFFFAOYSA-N |