N-benzyl-4-oxo-3-[(oxolan-2-yl)methyl]-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Chemical Structure Depiction of
N-benzyl-4-oxo-3-[(oxolan-2-yl)methyl]-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
N-benzyl-4-oxo-3-[(oxolan-2-yl)methyl]-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | A0061043 |
| Compound Name: | N-benzyl-4-oxo-3-[(oxolan-2-yl)methyl]-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide |
| Molecular Weight: | 395.48 |
| Molecular Formula: | C21 H21 N3 O3 S |
| Smiles: | C1CC(CN2C(c3ccc(cc3NC2=S)C(NCc2ccccc2)=O)=O)OC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.5187 |
| logD: | 2.516 |
| logSw: | -3.2902 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 60.386 |
| InChI Key: | RFSVEXGGOOQDEN-MRXNPFEDSA-N |