N-[(2-chlorophenyl)methyl]-4-oxo-3-[3-(2-oxopyrrolidin-1-yl)propyl]-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Chemical Structure Depiction of
N-[(2-chlorophenyl)methyl]-4-oxo-3-[3-(2-oxopyrrolidin-1-yl)propyl]-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
N-[(2-chlorophenyl)methyl]-4-oxo-3-[3-(2-oxopyrrolidin-1-yl)propyl]-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | K284-1606 |
| Compound Name: | N-[(2-chlorophenyl)methyl]-4-oxo-3-[3-(2-oxopyrrolidin-1-yl)propyl]-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide |
| Molecular Weight: | 470.98 |
| Molecular Formula: | C23 H23 Cl N4 O3 S |
| Smiles: | C1CC(N(C1)CCCN1C(c2ccc(cc2NC1=S)C(NCc1ccccc1[Cl])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6634 |
| logD: | 2.6607 |
| logSw: | -3.74 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.222 |
| InChI Key: | XXGCWGYNHQHVLF-UHFFFAOYSA-N |