N-[(5-chloro-1-methyl-1H-indol-2-yl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
Chemical Structure Depiction of
N-[(5-chloro-1-methyl-1H-indol-2-yl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
N-[(5-chloro-1-methyl-1H-indol-2-yl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
Compound characteristics
| Compound ID: | J031-1851 |
| Compound Name: | N-[(5-chloro-1-methyl-1H-indol-2-yl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide |
| Molecular Weight: | 370.83 |
| Molecular Formula: | C20 H19 Cl N2 O3 |
| Smiles: | Cn1c(CNC(c2ccc3c(c2)OCCCO3)=O)cc2cc(ccc12)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.4891 |
| logD: | 3.4891 |
| logSw: | -3.9641 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.822 |
| InChI Key: | ITTGVFUBRLMKQX-UHFFFAOYSA-N |