7-{4-[4-(3-chlorophenyl)piperazin-1-yl]-4-oxobutane-2-sulfonyl}-6-methyl-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
7-{4-[4-(3-chlorophenyl)piperazin-1-yl]-4-oxobutane-2-sulfonyl}-6-methyl-2H-1,4-benzoxazin-3(4H)-one
7-{4-[4-(3-chlorophenyl)piperazin-1-yl]-4-oxobutane-2-sulfonyl}-6-methyl-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | E667-1305 |
| Compound Name: | 7-{4-[4-(3-chlorophenyl)piperazin-1-yl]-4-oxobutane-2-sulfonyl}-6-methyl-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 491.99 |
| Molecular Formula: | C23 H26 Cl N3 O5 S |
| Smiles: | CC(CC(N1CCN(CC1)c1cccc(c1)[Cl])=O)S(c1cc2c(cc1C)NC(CO2)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.3285 |
| logD: | 2.3283 |
| logSw: | -3.3989 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.662 |
| InChI Key: | MYAVLXWQKUFQNY-INIZCTEOSA-N |