N-[(3-bromophenyl)methyl]-1-(3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl)prolinamide
Chemical Structure Depiction of
N-[(3-bromophenyl)methyl]-1-(3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl)prolinamide
N-[(3-bromophenyl)methyl]-1-(3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl)prolinamide
Compound characteristics
| Compound ID: | F822-0342 |
| Compound Name: | N-[(3-bromophenyl)methyl]-1-(3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl)prolinamide |
| Molecular Weight: | 494.36 |
| Molecular Formula: | C20 H20 Br N3 O5 S |
| Smiles: | C1CC(C(NCc2cccc(c2)[Br])=O)N(C1)S(c1ccc2c(c1)NC(CO2)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.7928 |
| logD: | 1.7926 |
| logSw: | -2.6118 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 90.47 |
| InChI Key: | DGINTUBVCLKBQL-KRWDZBQOSA-N |