N-(4-methoxyphenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
Chemical Structure Depiction of
N-(4-methoxyphenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
N-(4-methoxyphenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
Compound characteristics
| Compound ID: | J031-0446 |
| Compound Name: | N-(4-methoxyphenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide |
| Molecular Weight: | 299.32 |
| Molecular Formula: | C17 H17 N O4 |
| Smiles: | COc1ccc(cc1)NC(c1ccc2c(c1)OCCCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5342 |
| logD: | 2.5342 |
| logSw: | -3.0363 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.028 |
| InChI Key: | AYJSRHHGPZBXQP-UHFFFAOYSA-N |