methyl 3-(2-{[(4-methylphenyl)methyl]amino}-2-oxoethyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Chemical Structure Depiction of
methyl 3-(2-{[(4-methylphenyl)methyl]amino}-2-oxoethyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
methyl 3-(2-{[(4-methylphenyl)methyl]amino}-2-oxoethyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Compound characteristics
| Compound ID: | F207-0115 |
| Compound Name: | methyl 3-(2-{[(4-methylphenyl)methyl]amino}-2-oxoethyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate |
| Molecular Weight: | 397.45 |
| Molecular Formula: | C20 H19 N3 O4 S |
| Smiles: | Cc1ccc(CNC(CN2C(c3ccc(cc3NC2=S)C(=O)OC)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.9565 |
| logD: | 2.9543 |
| logSw: | -3.3839 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.963 |
| InChI Key: | VRTCAHFENNAVIB-UHFFFAOYSA-N |