4-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-3-pentyl-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Chemical Structure Depiction of
4-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-3-pentyl-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
4-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-3-pentyl-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | A0061355 |
| Compound Name: | 4-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-3-pentyl-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide |
| Molecular Weight: | 416.54 |
| Molecular Formula: | C21 H28 N4 O3 S |
| Smiles: | CCCCCN1C(c2ccc(cc2NC1=S)C(NCCCN1CCCC1=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2087 |
| logD: | 2.206 |
| logSw: | -3.0695 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.335 |
| InChI Key: | QMVCMORNASIQFA-UHFFFAOYSA-N |