6-chloro-N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonamide
Chemical Structure Depiction of
6-chloro-N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonamide
6-chloro-N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonamide
Compound characteristics
| Compound ID: | G805-0817 |
| Compound Name: | 6-chloro-N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonamide |
| Molecular Weight: | 435.93 |
| Molecular Formula: | C20 H22 Cl N3 O4 S |
| Smiles: | C(CNS(c1cc2c(cc1[Cl])NC(CO2)=O)(=O)=O)CN1CCc2ccccc2C1 |
| Stereo: | ACHIRAL |
| logP: | 2.5532 |
| logD: | 1.7703 |
| logSw: | -3.4034 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.753 |
| InChI Key: | BFDPQSUSLCSMPD-UHFFFAOYSA-N |