methyl 2-[(4,5,6,7-tetrahydro-1,2-benzoxazole-3-carbonyl)amino]benzoate
Chemical Structure Depiction of
methyl 2-[(4,5,6,7-tetrahydro-1,2-benzoxazole-3-carbonyl)amino]benzoate
methyl 2-[(4,5,6,7-tetrahydro-1,2-benzoxazole-3-carbonyl)amino]benzoate
Compound characteristics
| Compound ID: | C226-3365 |
| Compound Name: | methyl 2-[(4,5,6,7-tetrahydro-1,2-benzoxazole-3-carbonyl)amino]benzoate |
| Molecular Weight: | 300.31 |
| Molecular Formula: | C16 H16 N2 O4 |
| Smiles: | COC(c1ccccc1NC(c1c2CCCCc2on1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7587 |
| logD: | 2.5919 |
| logSw: | -3.3693 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.205 |
| InChI Key: | LIYYZKFDTFGNRG-UHFFFAOYSA-N |