N-cyclopentyl-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
Chemical Structure Depiction of
N-cyclopentyl-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
N-cyclopentyl-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
Compound characteristics
| Compound ID: | J031-0430 |
| Compound Name: | N-cyclopentyl-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide |
| Molecular Weight: | 261.32 |
| Molecular Formula: | C15 H19 N O3 |
| Smiles: | C1CCC(C1)NC(c1ccc2c(c1)OCCCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0951 |
| logD: | 2.0951 |
| logSw: | -2.7714 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.897 |
| InChI Key: | MKELQCYUHGZIMN-UHFFFAOYSA-N |