methyl 4-oxo-3-(4-oxo-4-{[(thiophen-2-yl)methyl]amino}butyl)-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Chemical Structure Depiction of
methyl 4-oxo-3-(4-oxo-4-{[(thiophen-2-yl)methyl]amino}butyl)-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
methyl 4-oxo-3-(4-oxo-4-{[(thiophen-2-yl)methyl]amino}butyl)-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Compound characteristics
| Compound ID: | F207-0251 |
| Compound Name: | methyl 4-oxo-3-(4-oxo-4-{[(thiophen-2-yl)methyl]amino}butyl)-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate |
| Molecular Weight: | 417.5 |
| Molecular Formula: | C19 H19 N3 O4 S2 |
| Smiles: | COC(c1ccc2C(N(CCCC(NCc3cccs3)=O)C(Nc2c1)=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4139 |
| logD: | 2.4098 |
| logSw: | -3.096 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.96 |
| InChI Key: | CHBBFBQHRAKILZ-UHFFFAOYSA-N |