6-[4-(4-tert-butylbenzoyl)piperazine-1-sulfonyl]-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
6-[4-(4-tert-butylbenzoyl)piperazine-1-sulfonyl]-2H-1,4-benzoxazin-3(4H)-one
6-[4-(4-tert-butylbenzoyl)piperazine-1-sulfonyl]-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | F537-0015 |
| Compound Name: | 6-[4-(4-tert-butylbenzoyl)piperazine-1-sulfonyl]-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 457.55 |
| Molecular Formula: | C23 H27 N3 O5 S |
| Smiles: | CC(C)(C)c1ccc(cc1)C(N1CCN(CC1)S(c1ccc2c(c1)NC(CO2)=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8021 |
| logD: | 2.8019 |
| logSw: | -3.4408 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.676 |
| InChI Key: | JMQXUOWFZARARQ-UHFFFAOYSA-N |