3-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]propanamide
Chemical Structure Depiction of
3-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]propanamide
3-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]propanamide
Compound characteristics
| Compound ID: | E667-1025 |
| Compound Name: | 3-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]propanamide |
| Molecular Weight: | 480.92 |
| Molecular Formula: | C21 H21 Cl N2 O7 S |
| Smiles: | CC(c1ccc2c(c1)OCCO2)NC(CCS(c1cc2c(cc1[Cl])NC(CO2)=O)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.1536 |
| logD: | 1.1321 |
| logSw: | -2.791 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 101.731 |
| InChI Key: | ALAIZHRGOWTJII-LBPRGKRZSA-N |