tert-butyl 9-methyl-6-[(pyridin-2-yl)methyl]-3,4,5,6-tetrahydroazepino[4,3-b]indole-2(1H)-carboxylate
Chemical Structure Depiction of
tert-butyl 9-methyl-6-[(pyridin-2-yl)methyl]-3,4,5,6-tetrahydroazepino[4,3-b]indole-2(1H)-carboxylate
tert-butyl 9-methyl-6-[(pyridin-2-yl)methyl]-3,4,5,6-tetrahydroazepino[4,3-b]indole-2(1H)-carboxylate
Compound characteristics
| Compound ID: | H025-0076B |
| Compound Name: | tert-butyl 9-methyl-6-[(pyridin-2-yl)methyl]-3,4,5,6-tetrahydroazepino[4,3-b]indole-2(1H)-carboxylate |
| Molecular Weight: | 391.51 |
| Molecular Formula: | C24 H29 N3 O2 |
| Smiles: | Cc1ccc2c(c1)c1CN(CCCc1n2Cc1ccccn1)C(=O)OC(C)(C)C |
| Stereo: | ACHIRAL |
| logP: | 5.3271 |
| logD: | 5.2746 |
| logSw: | -5.4167 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 33.042 |
| InChI Key: | YDRRDZXNLGOFQE-UHFFFAOYSA-N |