6-(4-{[(4-methylpyrimidin-2-yl)sulfanyl]acetyl}-1,4-diazepan-1-yl)-2-phenylpyridazin-3(2H)-one
Chemical Structure Depiction of
6-(4-{[(4-methylpyrimidin-2-yl)sulfanyl]acetyl}-1,4-diazepan-1-yl)-2-phenylpyridazin-3(2H)-one
6-(4-{[(4-methylpyrimidin-2-yl)sulfanyl]acetyl}-1,4-diazepan-1-yl)-2-phenylpyridazin-3(2H)-one
Compound characteristics
| Compound ID: | F977-0558 |
| Compound Name: | 6-(4-{[(4-methylpyrimidin-2-yl)sulfanyl]acetyl}-1,4-diazepan-1-yl)-2-phenylpyridazin-3(2H)-one |
| Molecular Weight: | 436.53 |
| Molecular Formula: | C22 H24 N6 O2 S |
| Smiles: | Cc1ccnc(n1)SCC(N1CCCN(CC1)C1C=CC(N(c2ccccc2)N=1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0085 |
| logD: | 2.0084 |
| logSw: | -2.3563 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 64.496 |
| InChI Key: | GNPBLYSJQCEXCC-UHFFFAOYSA-N |