ethyl 1-[N-(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonyl)phenylalanyl]piperidine-4-carboxylate
Chemical Structure Depiction of
ethyl 1-[N-(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonyl)phenylalanyl]piperidine-4-carboxylate
ethyl 1-[N-(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonyl)phenylalanyl]piperidine-4-carboxylate
Compound characteristics
| Compound ID: | C562-1412 |
| Compound Name: | ethyl 1-[N-(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonyl)phenylalanyl]piperidine-4-carboxylate |
| Molecular Weight: | 515.58 |
| Molecular Formula: | C25 H29 N3 O7 S |
| Smiles: | CCOC(C1CCN(CC1)C(C(Cc1ccccc1)NS(c1ccc2c(c1)OC(N2C)=O)(=O)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.5406 |
| logD: | 2.5403 |
| logSw: | -3.0151 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 102.108 |
| InChI Key: | VTSIRXRNUCMGPG-FQEVSTJZSA-N |