1-(4-acetyl-6-methyl-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]prolinamide
Chemical Structure Depiction of
1-(4-acetyl-6-methyl-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]prolinamide
1-(4-acetyl-6-methyl-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]prolinamide
Compound characteristics
| Compound ID: | L729-0026 |
| Compound Name: | 1-(4-acetyl-6-methyl-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]prolinamide |
| Molecular Weight: | 492.62 |
| Molecular Formula: | C22 H28 N4 O5 S2 |
| Smiles: | CC(N1CCOc2cc(c(C)cc12)S(N1CCCC1C(NCCc1csc(C)n1)=O)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.6843 |
| logD: | 1.6842 |
| logSw: | -2.4063 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.352 |
| InChI Key: | GKQZNJROIGOADF-SFHVURJKSA-N |