N-(3-chloro-4-methoxyphenyl)-1-(2,6-dimethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)prolinamide
Chemical Structure Depiction of
N-(3-chloro-4-methoxyphenyl)-1-(2,6-dimethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)prolinamide
N-(3-chloro-4-methoxyphenyl)-1-(2,6-dimethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)prolinamide
Compound characteristics
| Compound ID: | F632-0554 |
| Compound Name: | N-(3-chloro-4-methoxyphenyl)-1-(2,6-dimethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)prolinamide |
| Molecular Weight: | 493.97 |
| Molecular Formula: | C22 H24 Cl N3 O6 S |
| Smiles: | CC1C(Nc2cc(C)c(cc2O1)S(N1CCCC1C(Nc1ccc(c(c1)[Cl])OC)=O)(=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.7533 |
| logD: | 2.746 |
| logSw: | -3.4819 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 96.116 |
| InChI Key: | BNULUHHJCALTHY-UHFFFAOYSA-N |