tert-butyl 9-methyl-3,4,5,6-tetrahydroazepino[4,3-b]indole-2(1H)-carboxylate
Chemical Structure Depiction of
tert-butyl 9-methyl-3,4,5,6-tetrahydroazepino[4,3-b]indole-2(1H)-carboxylate
tert-butyl 9-methyl-3,4,5,6-tetrahydroazepino[4,3-b]indole-2(1H)-carboxylate
Compound characteristics
| Compound ID: | H025-0047 |
| Compound Name: | tert-butyl 9-methyl-3,4,5,6-tetrahydroazepino[4,3-b]indole-2(1H)-carboxylate |
| Molecular Weight: | 300.4 |
| Molecular Formula: | C18 H24 N2 O2 |
| Smiles: | Cc1ccc2c(c1)c1CN(CCCc1[nH]2)C(=O)OC(C)(C)C |
| Stereo: | ACHIRAL |
| logP: | 4.0029 |
| logD: | 4.0029 |
| logSw: | -4.1701 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 33.163 |
| InChI Key: | FELJMVUJNLJNNP-UHFFFAOYSA-N |