butyl 4-[(3,4-dihydro-2H-1,5-benzodioxepine-7-carbonyl)amino]benzoate
Chemical Structure Depiction of
butyl 4-[(3,4-dihydro-2H-1,5-benzodioxepine-7-carbonyl)amino]benzoate
butyl 4-[(3,4-dihydro-2H-1,5-benzodioxepine-7-carbonyl)amino]benzoate
Compound characteristics
| Compound ID: | J031-2395 |
| Compound Name: | butyl 4-[(3,4-dihydro-2H-1,5-benzodioxepine-7-carbonyl)amino]benzoate |
| Molecular Weight: | 369.42 |
| Molecular Formula: | C21 H23 N O5 |
| Smiles: | CCCCOC(c1ccc(cc1)NC(c1ccc2c(c1)OCCCO2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1379 |
| logD: | 4.1375 |
| logSw: | -4.1837 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.532 |
| InChI Key: | OCAXWTQJEFMXEK-UHFFFAOYSA-N |