methyl 3-(4-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}phenyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Chemical Structure Depiction of
methyl 3-(4-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}phenyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
methyl 3-(4-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}phenyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Compound characteristics
| Compound ID: | F207-0358 |
| Compound Name: | methyl 3-(4-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}phenyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate |
| Molecular Weight: | 489.51 |
| Molecular Formula: | C25 H19 N3 O6 S |
| Smiles: | COC(c1ccc2C(N(C(Nc2c1)=S)c1ccc(cc1)C(NCc1ccc2c(c1)OCO2)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3683 |
| logD: | 3.3469 |
| logSw: | -3.691 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 89.409 |
| InChI Key: | LMNBPSLRJVGZJO-UHFFFAOYSA-N |