3-(4-fluorophenyl)-4-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Chemical Structure Depiction of
3-(4-fluorophenyl)-4-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
3-(4-fluorophenyl)-4-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | A0061795 |
| Compound Name: | 3-(4-fluorophenyl)-4-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide |
| Molecular Weight: | 440.5 |
| Molecular Formula: | C22 H21 F N4 O3 S |
| Smiles: | C1CC(N(C1)CCCNC(c1ccc2C(N(C(Nc2c1)=S)c1ccc(cc1)F)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.3375 |
| logD: | 1.3238 |
| logSw: | -2.4485 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.474 |
| InChI Key: | PLGZVYQALCTMNE-UHFFFAOYSA-N |