1-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)-N-[(3-methoxyphenyl)methyl]prolinamide
Chemical Structure Depiction of
1-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)-N-[(3-methoxyphenyl)methyl]prolinamide
1-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)-N-[(3-methoxyphenyl)methyl]prolinamide
Compound characteristics
| Compound ID: | F632-1315 |
| Compound Name: | 1-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)-N-[(3-methoxyphenyl)methyl]prolinamide |
| Molecular Weight: | 479.94 |
| Molecular Formula: | C21 H22 Cl N3 O6 S |
| Smiles: | COc1cccc(CNC(C2CCCN2S(c2cc3c(cc2[Cl])NC(CO3)=O)(=O)=O)=O)c1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.6139 |
| logD: | 1.5553 |
| logSw: | -2.9437 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 98.013 |
| InChI Key: | NBKCSIFPSVBJLZ-KRWDZBQOSA-N |