7-[4-(4-ethoxybenzoyl)piperazine-1-sulfonyl]-6-methyl-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
7-[4-(4-ethoxybenzoyl)piperazine-1-sulfonyl]-6-methyl-2H-1,4-benzoxazin-3(4H)-one
7-[4-(4-ethoxybenzoyl)piperazine-1-sulfonyl]-6-methyl-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | F536-0085 |
| Compound Name: | 7-[4-(4-ethoxybenzoyl)piperazine-1-sulfonyl]-6-methyl-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 459.52 |
| Molecular Formula: | C22 H25 N3 O6 S |
| Smiles: | CCOc1ccc(cc1)C(N1CCN(CC1)S(c1cc2c(cc1C)NC(CO2)=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.562 |
| logD: | 1.5615 |
| logSw: | -2.6237 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.799 |
| InChI Key: | OCCQCZAWNKKASA-UHFFFAOYSA-N |