7-[4-(3-fluoro-4-methylbenzoyl)piperazine-1-sulfonyl]-6-methyl-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
7-[4-(3-fluoro-4-methylbenzoyl)piperazine-1-sulfonyl]-6-methyl-2H-1,4-benzoxazin-3(4H)-one
7-[4-(3-fluoro-4-methylbenzoyl)piperazine-1-sulfonyl]-6-methyl-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | F536-0141 |
| Compound Name: | 7-[4-(3-fluoro-4-methylbenzoyl)piperazine-1-sulfonyl]-6-methyl-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 447.48 |
| Molecular Formula: | C21 H22 F N3 O5 S |
| Smiles: | Cc1ccc(cc1F)C(N1CCN(CC1)S(c1cc2c(cc1C)NC(CO2)=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7785 |
| logD: | 1.778 |
| logSw: | -2.6812 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.676 |
| InChI Key: | OUICNABJIIVWDA-UHFFFAOYSA-N |