N-tert-butyl-4-(prop-2-enoyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine-5-carboxamide
Chemical Structure Depiction of
N-tert-butyl-4-(prop-2-enoyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine-5-carboxamide
N-tert-butyl-4-(prop-2-enoyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine-5-carboxamide
Compound characteristics
| Compound ID: | T001-0738 |
| Compound Name: | N-tert-butyl-4-(prop-2-enoyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine-5-carboxamide |
| Molecular Weight: | 302.37 |
| Molecular Formula: | C17 H22 N2 O3 |
| Smiles: | CC(C)(C)NC(C1c2ccccc2OCCN1C(C=C)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.814 |
| logD: | 2.814 |
| logSw: | -3.2157 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.668 |
| InChI Key: | JMLZVMTZMQHFGW-OAHLLOKOSA-N |