1-{6-[2-(4-chlorophenyl)pyrrolidine-1-sulfonyl]-2,3-dihydro-4H-1,4-benzoxazin-4-yl}ethan-1-one
Chemical Structure Depiction of
1-{6-[2-(4-chlorophenyl)pyrrolidine-1-sulfonyl]-2,3-dihydro-4H-1,4-benzoxazin-4-yl}ethan-1-one
1-{6-[2-(4-chlorophenyl)pyrrolidine-1-sulfonyl]-2,3-dihydro-4H-1,4-benzoxazin-4-yl}ethan-1-one
Compound characteristics
| Compound ID: | D399-0074 |
| Compound Name: | 1-{6-[2-(4-chlorophenyl)pyrrolidine-1-sulfonyl]-2,3-dihydro-4H-1,4-benzoxazin-4-yl}ethan-1-one |
| Molecular Weight: | 420.91 |
| Molecular Formula: | C20 H21 Cl N2 O4 S |
| Smiles: | CC(N1CCOc2ccc(cc12)S(N1CCCC1c1ccc(cc1)[Cl])(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3268 |
| logD: | 3.3268 |
| logSw: | -4.0322 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 56.518 |
| InChI Key: | PQZDFPDDCYIOBL-SFHVURJKSA-N |