methyl 3-[(4-{[(5-methylfuran-2-yl)methyl]carbamoyl}phenyl)methyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Chemical Structure Depiction of
methyl 3-[(4-{[(5-methylfuran-2-yl)methyl]carbamoyl}phenyl)methyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
methyl 3-[(4-{[(5-methylfuran-2-yl)methyl]carbamoyl}phenyl)methyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Compound characteristics
| Compound ID: | F207-0498 |
| Compound Name: | methyl 3-[(4-{[(5-methylfuran-2-yl)methyl]carbamoyl}phenyl)methyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate |
| Molecular Weight: | 463.51 |
| Molecular Formula: | C24 H21 N3 O5 S |
| Smiles: | Cc1ccc(CNC(c2ccc(CN3C(c4ccc(cc4NC3=S)C(=O)OC)=O)cc2)=O)o1 |
| Stereo: | ACHIRAL |
| logP: | 4.1039 |
| logD: | 4.1026 |
| logSw: | -4.2844 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.168 |
| InChI Key: | PBMHACHYPKEEQD-UHFFFAOYSA-N |