6-{4-[3-(1H-indol-3-yl)propanoyl]piperazine-1-sulfonyl}-2-methyl-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
6-{4-[3-(1H-indol-3-yl)propanoyl]piperazine-1-sulfonyl}-2-methyl-2H-1,4-benzoxazin-3(4H)-one
6-{4-[3-(1H-indol-3-yl)propanoyl]piperazine-1-sulfonyl}-2-methyl-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | F537-0248 |
| Compound Name: | 6-{4-[3-(1H-indol-3-yl)propanoyl]piperazine-1-sulfonyl}-2-methyl-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 482.56 |
| Molecular Formula: | C24 H26 N4 O5 S |
| Smiles: | CC1C(Nc2cc(ccc2O1)S(N1CCN(CC1)C(CCc1c[nH]c2ccccc12)=O)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.209 |
| logD: | 2.2088 |
| logSw: | -3.0305 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 90.357 |
| InChI Key: | IMLQIANTEJMUJG-MRXNPFEDSA-N |