2,6-dimethyl-7-{4-[3-(thiophen-2-yl)prop-2-enoyl]piperazine-1-sulfonyl}-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
2,6-dimethyl-7-{4-[3-(thiophen-2-yl)prop-2-enoyl]piperazine-1-sulfonyl}-2H-1,4-benzoxazin-3(4H)-one
2,6-dimethyl-7-{4-[3-(thiophen-2-yl)prop-2-enoyl]piperazine-1-sulfonyl}-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | F536-0428 |
| Compound Name: | 2,6-dimethyl-7-{4-[3-(thiophen-2-yl)prop-2-enoyl]piperazine-1-sulfonyl}-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 461.56 |
| Molecular Formula: | C21 H23 N3 O5 S2 |
| Smiles: | CC1C(Nc2cc(C)c(cc2O1)S(N1CCN(CC1)C(/C=C/c1cccs1)=O)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.9395 |
| logD: | 1.9389 |
| logSw: | -2.7053 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.505 |
| InChI Key: | KBCMABLMZXTCKC-OAHLLOKOSA-N |