methyl (3S)-1,1-dimethyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate
Chemical Structure Depiction of
methyl (3S)-1,1-dimethyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate
methyl (3S)-1,1-dimethyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate
Compound characteristics
| Compound ID: | Y042-7900 |
| Compound Name: | methyl (3S)-1,1-dimethyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate |
| Molecular Weight: | 258.32 |
| Molecular Formula: | C15 H18 N2 O2 |
| Smiles: | CC1(C)c2c(C[C@@H](C(=O)OC)N1)c1ccccc1[nH]2 |
| Stereo: | ABSOLUTE |
| logP: | 2.0242 |
| logD: | 1.9579 |
| logSw: | -2.479 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 43.534 |
| InChI Key: | BCECOYNVQCXLBN-LBPRGKRZSA-N |