methyl 3-({4-[(1-benzylpiperidin-4-yl)carbamoyl]phenyl}methyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Chemical Structure Depiction of
methyl 3-({4-[(1-benzylpiperidin-4-yl)carbamoyl]phenyl}methyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
methyl 3-({4-[(1-benzylpiperidin-4-yl)carbamoyl]phenyl}methyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Compound characteristics
| Compound ID: | F207-0493 |
| Compound Name: | methyl 3-({4-[(1-benzylpiperidin-4-yl)carbamoyl]phenyl}methyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate |
| Molecular Weight: | 542.66 |
| Molecular Formula: | C30 H30 N4 O4 S |
| Smiles: | COC(c1ccc2C(N(Cc3ccc(cc3)C(NC3CCN(CC3)Cc3ccccc3)=O)C(Nc2c1)=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.283 |
| logD: | 2.8378 |
| logSw: | -4.1743 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.171 |
| InChI Key: | UNHWQNPVMZQMDK-UHFFFAOYSA-N |