methyl 4-oxo-3-(4-{[(oxolan-2-yl)methyl]carbamoyl}phenyl)-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Chemical Structure Depiction of
methyl 4-oxo-3-(4-{[(oxolan-2-yl)methyl]carbamoyl}phenyl)-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
methyl 4-oxo-3-(4-{[(oxolan-2-yl)methyl]carbamoyl}phenyl)-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Compound characteristics
| Compound ID: | F207-0363 |
| Compound Name: | methyl 4-oxo-3-(4-{[(oxolan-2-yl)methyl]carbamoyl}phenyl)-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate |
| Molecular Weight: | 439.49 |
| Molecular Formula: | C22 H21 N3 O5 S |
| Smiles: | COC(c1ccc2C(N(C(Nc2c1)=S)c1ccc(cc1)C(NCC1CCCO1)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.0058 |
| logD: | 1.9844 |
| logSw: | -2.8636 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.948 |
| InChI Key: | PXPFFAADQQSQTO-MRXNPFEDSA-N |