methyl 3-(4-{[(4-methylphenyl)methyl]amino}-4-oxobutyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Chemical Structure Depiction of
methyl 3-(4-{[(4-methylphenyl)methyl]amino}-4-oxobutyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
methyl 3-(4-{[(4-methylphenyl)methyl]amino}-4-oxobutyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Compound characteristics
| Compound ID: | F207-0253 |
| Compound Name: | methyl 3-(4-{[(4-methylphenyl)methyl]amino}-4-oxobutyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate |
| Molecular Weight: | 425.51 |
| Molecular Formula: | C22 H23 N3 O4 S |
| Smiles: | Cc1ccc(CNC(CCCN2C(c3ccc(cc3NC2=S)C(=O)OC)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.8623 |
| logD: | 2.8581 |
| logSw: | -3.4421 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.942 |
| InChI Key: | POVMAFCXNNTHOK-UHFFFAOYSA-N |