methyl 4-(4-tert-butylbenzoyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate
Chemical Structure Depiction of
methyl 4-(4-tert-butylbenzoyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate
methyl 4-(4-tert-butylbenzoyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate
Compound characteristics
| Compound ID: | D075-0153 |
| Compound Name: | methyl 4-(4-tert-butylbenzoyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate |
| Molecular Weight: | 353.42 |
| Molecular Formula: | C21 H23 N O4 |
| Smiles: | CC(C)(C)c1ccc(cc1)C(N1CC(C(=O)OC)Oc2ccccc12)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4357 |
| logD: | 4.4357 |
| logSw: | -4.4223 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 43.726 |
| InChI Key: | KGRYOKKEZLDLQU-GOSISDBHSA-N |