4-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-6-(4-methylpiperidine-1-sulfonyl)-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
4-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-6-(4-methylpiperidine-1-sulfonyl)-2H-1,4-benzoxazin-3(4H)-one
4-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-6-(4-methylpiperidine-1-sulfonyl)-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | K788-9994 |
| Compound Name: | 4-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-6-(4-methylpiperidine-1-sulfonyl)-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 526.65 |
| Molecular Formula: | C27 H34 N4 O5 S |
| Smiles: | CC1CCN(CC1)S(c1ccc2c(c1)N(CC(N1CCN(CC1)Cc1ccccc1)=O)C(CO2)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2934 |
| logD: | 2.278 |
| logSw: | -2.8661 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 75.712 |
| InChI Key: | ZMMHMLFXUMSLBW-UHFFFAOYSA-N |