4-{2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethyl}-N,N-diethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide
Chemical Structure Depiction of
4-{2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethyl}-N,N-diethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide
4-{2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethyl}-N,N-diethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide
Compound characteristics
| Compound ID: | K788-9941 |
| Compound Name: | 4-{2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethyl}-N,N-diethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide |
| Molecular Weight: | 535.06 |
| Molecular Formula: | C25 H31 Cl N4 O5 S |
| Smiles: | CCN(CC)S(c1ccc2c(c1)N(CC(N1CCN(CC1)c1cc(ccc1C)[Cl])=O)C(CO2)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2479 |
| logD: | 3.2479 |
| logSw: | -3.4223 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 74.517 |
| InChI Key: | FMXRBHQDWHOBOJ-UHFFFAOYSA-N |