6-(azepane-1-sulfonyl)-4-{2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethyl}-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
6-(azepane-1-sulfonyl)-4-{2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethyl}-2H-1,4-benzoxazin-3(4H)-one
6-(azepane-1-sulfonyl)-4-{2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethyl}-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | C700-1205 |
| Compound Name: | 6-(azepane-1-sulfonyl)-4-{2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethyl}-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 561.1 |
| Molecular Formula: | C27 H33 Cl N4 O5 S |
| Smiles: | Cc1ccc(cc1N1CCN(CC1)C(CN1C(COc2ccc(cc12)S(N1CCCCCC1)(=O)=O)=O)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.9169 |
| logD: | 3.9169 |
| logSw: | -4.2823 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 75.462 |
| InChI Key: | ATYDBNYOMHHHOC-UHFFFAOYSA-N |