methyl 1-(2-{[(8-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]amino}-2-oxoethyl)-1H-indole-3-carboxylate
Chemical Structure Depiction of
methyl 1-(2-{[(8-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]amino}-2-oxoethyl)-1H-indole-3-carboxylate
methyl 1-(2-{[(8-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]amino}-2-oxoethyl)-1H-indole-3-carboxylate
Compound characteristics
| Compound ID: | J031-1327 |
| Compound Name: | methyl 1-(2-{[(8-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]amino}-2-oxoethyl)-1H-indole-3-carboxylate |
| Molecular Weight: | 424.45 |
| Molecular Formula: | C23 H24 N2 O6 |
| Smiles: | COC(c1cn(CC(NCc2cc3c(cc2OC)OCCCO3)=O)c2ccccc12)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4665 |
| logD: | 2.4665 |
| logSw: | -2.899 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.4 |
| InChI Key: | QSHYUHRCFWJTSU-UHFFFAOYSA-N |