methyl 1-(2-{[(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]amino}-2-oxoethyl)-1H-indole-3-carboxylate
Chemical Structure Depiction of
methyl 1-(2-{[(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]amino}-2-oxoethyl)-1H-indole-3-carboxylate
methyl 1-(2-{[(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]amino}-2-oxoethyl)-1H-indole-3-carboxylate
Compound characteristics
| Compound ID: | J031-1323 |
| Compound Name: | methyl 1-(2-{[(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]amino}-2-oxoethyl)-1H-indole-3-carboxylate |
| Molecular Weight: | 394.43 |
| Molecular Formula: | C22 H22 N2 O5 |
| Smiles: | COC(c1cn(CC(NCc2ccc3c(c2)OCCCO3)=O)c2ccccc12)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4339 |
| logD: | 2.4339 |
| logSw: | -2.9102 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.77 |
| InChI Key: | WTRDQWVSGJTZMN-UHFFFAOYSA-N |