4-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-3-(2-phenylethyl)-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Chemical Structure Depiction of
4-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-3-(2-phenylethyl)-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
4-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-3-(2-phenylethyl)-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | A0061399 |
| Compound Name: | 4-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-3-(2-phenylethyl)-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide |
| Molecular Weight: | 450.56 |
| Molecular Formula: | C24 H26 N4 O3 S |
| Smiles: | C1CC(N(C1)CCCNC(c1ccc2C(N(CCc3ccccc3)C(Nc2c1)=S)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9988 |
| logD: | 1.9911 |
| logSw: | -3.0607 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.063 |
| InChI Key: | VTUSEMSFLNOFRO-UHFFFAOYSA-N |