6-chloro-7-{4-[3-(4-methoxyphenyl)propanoyl]piperazine-1-sulfonyl}-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
6-chloro-7-{4-[3-(4-methoxyphenyl)propanoyl]piperazine-1-sulfonyl}-2H-1,4-benzoxazin-3(4H)-one
6-chloro-7-{4-[3-(4-methoxyphenyl)propanoyl]piperazine-1-sulfonyl}-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | F536-0210 |
| Compound Name: | 6-chloro-7-{4-[3-(4-methoxyphenyl)propanoyl]piperazine-1-sulfonyl}-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 493.97 |
| Molecular Formula: | C22 H24 Cl N3 O6 S |
| Smiles: | COc1ccc(CCC(N2CCN(CC2)S(c2cc3c(cc2[Cl])NC(CO3)=O)(=O)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.023 |
| logD: | 1.9644 |
| logSw: | -3.04 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.692 |
| InChI Key: | UQVALPISJRKIEA-UHFFFAOYSA-N |