N-(3-chloro-4-methoxyphenyl)-1-(6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)prolinamide
Chemical Structure Depiction of
N-(3-chloro-4-methoxyphenyl)-1-(6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)prolinamide
N-(3-chloro-4-methoxyphenyl)-1-(6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)prolinamide
Compound characteristics
| Compound ID: | F632-0161 |
| Compound Name: | N-(3-chloro-4-methoxyphenyl)-1-(6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)prolinamide |
| Molecular Weight: | 479.94 |
| Molecular Formula: | C21 H22 Cl N3 O6 S |
| Smiles: | Cc1cc2c(cc1S(N1CCCC1C(Nc1ccc(c(c1)[Cl])OC)=O)(=O)=O)OCC(N2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.1672 |
| logD: | 2.1599 |
| logSw: | -3.1093 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 96.778 |
| InChI Key: | XXHKAHCGTLDHQM-INIZCTEOSA-N |