4-acetyl-6-chloro-N-[3-(methylsulfanyl)phenyl]-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonamide
Chemical Structure Depiction of
4-acetyl-6-chloro-N-[3-(methylsulfanyl)phenyl]-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonamide
4-acetyl-6-chloro-N-[3-(methylsulfanyl)phenyl]-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonamide
Compound characteristics
| Compound ID: | E470-2247 |
| Compound Name: | 4-acetyl-6-chloro-N-[3-(methylsulfanyl)phenyl]-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonamide |
| Molecular Weight: | 412.91 |
| Molecular Formula: | C17 H17 Cl N2 O4 S2 |
| Smiles: | CC(N1CCOc2cc(c(cc12)[Cl])S(Nc1cccc(c1)SC)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1177 |
| logD: | 3.1166 |
| logSw: | -3.5362 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.892 |
| InChI Key: | GTINMPVIJXZZRM-UHFFFAOYSA-N |