6-chloro-7-[4-(3-methylbenzoyl)piperazine-1-sulfonyl]-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
6-chloro-7-[4-(3-methylbenzoyl)piperazine-1-sulfonyl]-2H-1,4-benzoxazin-3(4H)-one
6-chloro-7-[4-(3-methylbenzoyl)piperazine-1-sulfonyl]-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | F536-0217 |
| Compound Name: | 6-chloro-7-[4-(3-methylbenzoyl)piperazine-1-sulfonyl]-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 449.91 |
| Molecular Formula: | C20 H20 Cl N3 O5 S |
| Smiles: | Cc1cccc(c1)C(N1CCN(CC1)S(c1cc2c(cc1[Cl])NC(CO2)=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7396 |
| logD: | 1.681 |
| logSw: | -3.0246 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.676 |
| InChI Key: | SJUAHYXHOCIYKH-UHFFFAOYSA-N |