N-[(2-methoxyphenyl)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-methoxyphenyl)methyl]-4-oxo-3-[3-(2-oxopyrrolidin-1-yl)propyl]-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
N-[(2-methoxyphenyl)methyl]-4-oxo-3-[3-(2-oxopyrrolidin-1-yl)propyl]-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | K284-1605 |
| Compound Name: | N-[(2-methoxyphenyl)methyl]-4-oxo-3-[3-(2-oxopyrrolidin-1-yl)propyl]-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide |
| Molecular Weight: | 466.56 |
| Molecular Formula: | C24 H26 N4 O4 S |
| Smiles: | COc1ccccc1CNC(c1ccc2C(N(CCCN3CCCC3=O)C(Nc2c1)=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1027 |
| logD: | 2.1 |
| logSw: | -3.1329 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.852 |
| InChI Key: | WWCBDAJNMZAQGK-UHFFFAOYSA-N |