methyl 2-[(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carbonyl)amino]benzoate
Chemical Structure Depiction of
methyl 2-[(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carbonyl)amino]benzoate
methyl 2-[(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carbonyl)amino]benzoate
Compound characteristics
| Compound ID: | C226-3479 |
| Compound Name: | methyl 2-[(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carbonyl)amino]benzoate |
| Molecular Weight: | 314.34 |
| Molecular Formula: | C17 H18 N2 O4 |
| Smiles: | COC(c1ccccc1NC(c1c2CCCCCc2on1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2546 |
| logD: | 3.0879 |
| logSw: | -3.7249 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.537 |
| InChI Key: | ORBVPCQTAMVORR-UHFFFAOYSA-N |