ethyl 3-{[N-(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonyl)methionyl]amino}benzoate
Chemical Structure Depiction of
ethyl 3-{[N-(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonyl)methionyl]amino}benzoate
ethyl 3-{[N-(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonyl)methionyl]amino}benzoate
Compound characteristics
| Compound ID: | K906-1927 |
| Compound Name: | ethyl 3-{[N-(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonyl)methionyl]amino}benzoate |
| Molecular Weight: | 507.58 |
| Molecular Formula: | C22 H25 N3 O7 S2 |
| Smiles: | CCOC(c1cccc(c1)NC(C(CCSC)NS(c1ccc2c(c1)OC(N2C)=O)(=O)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4293 |
| logD: | 3.4291 |
| logSw: | -4.0372 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 108.823 |
| InChI Key: | AFRANAUDQBOOSO-KRWDZBQOSA-N |