6-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-1-methyl-3-[2-oxo-2-(pyrrolidin-1-yl)ethyl]quinazoline-2,4(1H,3H)-dione
Chemical Structure Depiction of
6-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-1-methyl-3-[2-oxo-2-(pyrrolidin-1-yl)ethyl]quinazoline-2,4(1H,3H)-dione
6-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-1-methyl-3-[2-oxo-2-(pyrrolidin-1-yl)ethyl]quinazoline-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | L596-0086 |
| Compound Name: | 6-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-1-methyl-3-[2-oxo-2-(pyrrolidin-1-yl)ethyl]quinazoline-2,4(1H,3H)-dione |
| Molecular Weight: | 482.56 |
| Molecular Formula: | C24 H26 N4 O5 S |
| Smiles: | CN1C(N(CC(N2CCCC2)=O)C(c2cc(ccc12)S(N1CCc2ccccc2C1)(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1983 |
| logD: | 2.1983 |
| logSw: | -3.1228 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 79.435 |
| InChI Key: | KRUFBXCSFQOFNN-UHFFFAOYSA-N |