N-(2,3-dimethylcyclohexyl)-4-oxo-3-[3-(2-oxopyrrolidin-1-yl)propyl]-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Chemical Structure Depiction of
N-(2,3-dimethylcyclohexyl)-4-oxo-3-[3-(2-oxopyrrolidin-1-yl)propyl]-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
N-(2,3-dimethylcyclohexyl)-4-oxo-3-[3-(2-oxopyrrolidin-1-yl)propyl]-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | K284-1598 |
| Compound Name: | N-(2,3-dimethylcyclohexyl)-4-oxo-3-[3-(2-oxopyrrolidin-1-yl)propyl]-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide |
| Molecular Weight: | 456.61 |
| Molecular Formula: | C24 H32 N4 O3 S |
| Smiles: | CC1CCCC(C1C)NC(c1ccc2C(N(CCCN3CCCC3=O)C(Nc2c1)=S)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.3065 |
| logD: | 2.3039 |
| logSw: | -3.1409 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.337 |
| InChI Key: | PKDZSDJUKZRTQJ-UHFFFAOYSA-N |