2-amino-4-{5-[(4-methoxyphenoxy)methyl]furan-2-yl}-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile
Chemical Structure Depiction of
2-amino-4-{5-[(4-methoxyphenoxy)methyl]furan-2-yl}-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile
2-amino-4-{5-[(4-methoxyphenoxy)methyl]furan-2-yl}-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile
Compound characteristics
| Compound ID: | Y501-0225 |
| Compound Name: | 2-amino-4-{5-[(4-methoxyphenoxy)methyl]furan-2-yl}-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile |
| Molecular Weight: | 389.45 |
| Molecular Formula: | C23 H23 N3 O3 |
| Smiles: | COc1ccc(cc1)OCc1ccc(c2c3CCCCCc3nc(c2C#N)N)o1 |
| Stereo: | ACHIRAL |
| logP: | 4.7534 |
| logD: | 4.7533 |
| logSw: | -4.7574 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.701 |
| InChI Key: | KINFLNQLBDPJLL-UHFFFAOYSA-N |