tert-butyl 6-benzyl-9-methyl-3,4,5,6-tetrahydroazepino[4,3-b]indole-2(1H)-carboxylate
Chemical Structure Depiction of
tert-butyl 6-benzyl-9-methyl-3,4,5,6-tetrahydroazepino[4,3-b]indole-2(1H)-carboxylate
tert-butyl 6-benzyl-9-methyl-3,4,5,6-tetrahydroazepino[4,3-b]indole-2(1H)-carboxylate
Compound characteristics
| Compound ID: | H025-0075B |
| Compound Name: | tert-butyl 6-benzyl-9-methyl-3,4,5,6-tetrahydroazepino[4,3-b]indole-2(1H)-carboxylate |
| Molecular Weight: | 390.53 |
| Molecular Formula: | C25 H30 N2 O2 |
| Smiles: | Cc1ccc2c(c1)c1CN(CCCc1n2Cc1ccccc1)C(=O)OC(C)(C)C |
| Stereo: | ACHIRAL |
| logP: | 6.4756 |
| logD: | 6.4755 |
| logSw: | -5.709 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 23.4984 |
| InChI Key: | ANUSQWWMQJQOKB-UHFFFAOYSA-N |