N-(3-chloro-4-fluorophenyl)-1-(2,6-dimethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)prolinamide
Chemical Structure Depiction of
N-(3-chloro-4-fluorophenyl)-1-(2,6-dimethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)prolinamide
N-(3-chloro-4-fluorophenyl)-1-(2,6-dimethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)prolinamide
Compound characteristics
| Compound ID: | F632-0553 |
| Compound Name: | N-(3-chloro-4-fluorophenyl)-1-(2,6-dimethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)prolinamide |
| Molecular Weight: | 481.93 |
| Molecular Formula: | C21 H21 Cl F N3 O5 S |
| Smiles: | CC1C(Nc2cc(C)c(cc2O1)S(N1CCCC1C(Nc1ccc(c(c1)[Cl])F)=O)(=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.9728 |
| logD: | 2.7969 |
| logSw: | -3.482 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 88.486 |
| InChI Key: | CLTBRUJEYSQSHW-UHFFFAOYSA-N |