6-methyl-7-{4-[(thiophen-2-yl)acetyl]piperazine-1-sulfonyl}-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
6-methyl-7-{4-[(thiophen-2-yl)acetyl]piperazine-1-sulfonyl}-2H-1,4-benzoxazin-3(4H)-one
6-methyl-7-{4-[(thiophen-2-yl)acetyl]piperazine-1-sulfonyl}-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | F536-0097 |
| Compound Name: | 6-methyl-7-{4-[(thiophen-2-yl)acetyl]piperazine-1-sulfonyl}-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 435.52 |
| Molecular Formula: | C19 H21 N3 O5 S2 |
| Smiles: | Cc1cc2c(cc1S(N1CCN(CC1)C(Cc1cccs1)=O)(=O)=O)OCC(N2)=O |
| Stereo: | ACHIRAL |
| logP: | 1.0236 |
| logD: | 1.0231 |
| logSw: | -2.4725 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.167 |
| InChI Key: | KWIDFANXFQZTBW-UHFFFAOYSA-N |