methyl 3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[(4-chlorophenyl)methyl]sulfanyl}-4-oxo-3,4-dihydroquinazoline-7-carboxylate
Chemical Structure Depiction of
methyl 3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[(4-chlorophenyl)methyl]sulfanyl}-4-oxo-3,4-dihydroquinazoline-7-carboxylate
methyl 3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[(4-chlorophenyl)methyl]sulfanyl}-4-oxo-3,4-dihydroquinazoline-7-carboxylate
Compound characteristics
| Compound ID: | K284-0258 |
| Compound Name: | methyl 3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[(4-chlorophenyl)methyl]sulfanyl}-4-oxo-3,4-dihydroquinazoline-7-carboxylate |
| Molecular Weight: | 494.95 |
| Molecular Formula: | C25 H19 Cl N2 O5 S |
| Smiles: | COC(c1ccc2C(N(Cc3ccc4c(c3)OCO4)C(=Nc2c1)SCc1ccc(cc1)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2475 |
| logD: | 5.2475 |
| logSw: | -5.5333 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 64.06 |
| InChI Key: | KGTPKAFJWOXYGR-UHFFFAOYSA-N |