methyl 4-oxo-2-sulfanylidene-3-[(4-{[(thiophen-2-yl)methyl]carbamoyl}phenyl)methyl]-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Chemical Structure Depiction of
methyl 4-oxo-2-sulfanylidene-3-[(4-{[(thiophen-2-yl)methyl]carbamoyl}phenyl)methyl]-1,2,3,4-tetrahydroquinazoline-7-carboxylate
methyl 4-oxo-2-sulfanylidene-3-[(4-{[(thiophen-2-yl)methyl]carbamoyl}phenyl)methyl]-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Compound characteristics
| Compound ID: | F207-0484 |
| Compound Name: | methyl 4-oxo-2-sulfanylidene-3-[(4-{[(thiophen-2-yl)methyl]carbamoyl}phenyl)methyl]-1,2,3,4-tetrahydroquinazoline-7-carboxylate |
| Molecular Weight: | 465.55 |
| Molecular Formula: | C23 H19 N3 O4 S2 |
| Smiles: | COC(c1ccc2C(N(Cc3ccc(cc3)C(NCc3cccs3)=O)C(Nc2c1)=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0215 |
| logD: | 4.0201 |
| logSw: | -4.2419 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.924 |
| InChI Key: | NKAANTVCMQAMFS-UHFFFAOYSA-N |