Lamuran
Representations & DB's id
| ||
| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL1604074 | |
| PubChem: | 251561 | |
| IUPAC: | methyl 16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8,18-pentaene-19-carboxylate | |
| Standard InChI: | InChI=1S/C21H24N2O3/c1-12-16-10-23-8-7-14-13-5-3-4-6-18(13)22-20(14)19(23)9-15(16)17(11-26-12)21(24)25-2/h3-6,11-12,15-16,19,22H,7-10H2,1-2H3 | |
| Standard InChI Key: | GRTOGORTSDXSFK-UHFFFAOYSA-N | |
| SMILES: | COC(=O)C1=COC(C2C1CC1N(C2)CCc2c1[nH]c1c2cccc1)C | |
Molecular propeties
| ||
| AlogP: | 3.18 | |
|---|---|---|
| Hydrogen bonds acceptors: | 4 | |
| Hydrogen bonds donors: | 1 | |
| Rotatable bonds: | 1 | |
| Number of rings: | 5 | |
| Molecular Weight: | 352.18 | |
| Topological polar surface area: | 54.6 | |
| Number of aromatic rings: | 2 | |
| Fsp3: | 0.476 | |
| Number of carbons: | 21 | |