N-(3-methylbutyl)-4-oxo-3-[3-(2-oxopyrrolidin-1-yl)propyl]-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Chemical Structure Depiction of
N-(3-methylbutyl)-4-oxo-3-[3-(2-oxopyrrolidin-1-yl)propyl]-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
N-(3-methylbutyl)-4-oxo-3-[3-(2-oxopyrrolidin-1-yl)propyl]-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | K284-1570 |
| Compound Name: | N-(3-methylbutyl)-4-oxo-3-[3-(2-oxopyrrolidin-1-yl)propyl]-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide |
| Molecular Weight: | 416.54 |
| Molecular Formula: | C21 H28 N4 O3 S |
| Smiles: | CC(C)CCNC(c1ccc2C(N(CCCN3CCCC3=O)C(Nc2c1)=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9078 |
| logD: | 1.9052 |
| logSw: | -2.8609 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.335 |
| InChI Key: | XHLHOVJHDVRXSW-UHFFFAOYSA-N |