3-[2-(azepan-1-yl)-2-oxoethyl]-1-methyl-6-(4-methylpiperazine-1-sulfonyl)quinazoline-2,4(1H,3H)-dione
Chemical Structure Depiction of
3-[2-(azepan-1-yl)-2-oxoethyl]-1-methyl-6-(4-methylpiperazine-1-sulfonyl)quinazoline-2,4(1H,3H)-dione
3-[2-(azepan-1-yl)-2-oxoethyl]-1-methyl-6-(4-methylpiperazine-1-sulfonyl)quinazoline-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | L596-0505 |
| Compound Name: | 3-[2-(azepan-1-yl)-2-oxoethyl]-1-methyl-6-(4-methylpiperazine-1-sulfonyl)quinazoline-2,4(1H,3H)-dione |
| Molecular Weight: | 477.58 |
| Molecular Formula: | C22 H31 N5 O5 S |
| Smiles: | CN1CCN(CC1)S(c1ccc2c(c1)C(N(CC(N1CCCCCC1)=O)C(N2C)=O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.7786 |
| logD: | 0.7159 |
| logSw: | -2.5472 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 83.215 |
| InChI Key: | AMFRVWVLFVGGLK-UHFFFAOYSA-N |