4-(azepan-1-yl)-2-(4-methoxyphenyl)-5,6,8,9-tetrahydrooxepino[4,5-d]pyrimidine
Chemical Structure Depiction of
4-(azepan-1-yl)-2-(4-methoxyphenyl)-5,6,8,9-tetrahydrooxepino[4,5-d]pyrimidine
4-(azepan-1-yl)-2-(4-methoxyphenyl)-5,6,8,9-tetrahydrooxepino[4,5-d]pyrimidine
Compound characteristics
| Compound ID: | S896-0140 |
| Compound Name: | 4-(azepan-1-yl)-2-(4-methoxyphenyl)-5,6,8,9-tetrahydrooxepino[4,5-d]pyrimidine |
| Molecular Weight: | 353.46 |
| Molecular Formula: | C21 H27 N3 O2 |
| Smiles: | COc1ccc(cc1)c1nc2CCOCCc2c(n1)N1CCCCCC1 |
| Stereo: | ACHIRAL |
| logP: | 5.2476 |
| logD: | 5.2419 |
| logSw: | -5.0806 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 39.459 |
| InChI Key: | IFLZROVYLCMPOH-UHFFFAOYSA-N |