methyl 4-oxo-3-(2-oxo-2-{[(thiophen-2-yl)methyl]amino}ethyl)-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Chemical Structure Depiction of
methyl 4-oxo-3-(2-oxo-2-{[(thiophen-2-yl)methyl]amino}ethyl)-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
methyl 4-oxo-3-(2-oxo-2-{[(thiophen-2-yl)methyl]amino}ethyl)-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Compound characteristics
| Compound ID: | F207-0113 |
| Compound Name: | methyl 4-oxo-3-(2-oxo-2-{[(thiophen-2-yl)methyl]amino}ethyl)-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate |
| Molecular Weight: | 389.45 |
| Molecular Formula: | C17 H15 N3 O4 S2 |
| Smiles: | COC(c1ccc2C(N(CC(NCc3cccs3)=O)C(Nc2c1)=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5081 |
| logD: | 2.5059 |
| logSw: | -3.1186 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.982 |
| InChI Key: | PGHUMQUYOZOKIQ-UHFFFAOYSA-N |