4-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-3-phenyl-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Chemical Structure Depiction of
4-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-3-phenyl-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
4-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-3-phenyl-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | A0061223 |
| Compound Name: | 4-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-3-phenyl-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide |
| Molecular Weight: | 422.5 |
| Molecular Formula: | C22 H22 N4 O3 S |
| Smiles: | C1CC(N(C1)CCCNC(c1ccc2C(N(C(Nc2c1)=S)c1ccccc1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.1869 |
| logD: | 1.1732 |
| logSw: | -2.4787 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.474 |
| InChI Key: | DGCANYKBHVBVGU-UHFFFAOYSA-N |