6-chloro-7-[3-(2-methyl-2,3-dihydro-1H-indol-1-yl)-3-oxopropane-1-sulfonyl]-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
6-chloro-7-[3-(2-methyl-2,3-dihydro-1H-indol-1-yl)-3-oxopropane-1-sulfonyl]-2H-1,4-benzoxazin-3(4H)-one
6-chloro-7-[3-(2-methyl-2,3-dihydro-1H-indol-1-yl)-3-oxopropane-1-sulfonyl]-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | E511-0666 |
| Compound Name: | 6-chloro-7-[3-(2-methyl-2,3-dihydro-1H-indol-1-yl)-3-oxopropane-1-sulfonyl]-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 434.9 |
| Molecular Formula: | C20 H19 Cl N2 O5 S |
| Smiles: | CC1Cc2ccccc2N1C(CCS(c1cc2c(cc1[Cl])NC(CO2)=O)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.2287 |
| logD: | 2.2072 |
| logSw: | -3.2389 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.635 |
| InChI Key: | XUVOMLBOWUEXIF-LBPRGKRZSA-N |