3-(2-phenylethyl)-3,4,8,9-tetrahydro-2H-cyclopenta[4,5]pyrano[2,3-f][1,3]benzoxazin-6(7H)-one
Chemical Structure Depiction of
3-(2-phenylethyl)-3,4,8,9-tetrahydro-2H-cyclopenta[4,5]pyrano[2,3-f][1,3]benzoxazin-6(7H)-one
3-(2-phenylethyl)-3,4,8,9-tetrahydro-2H-cyclopenta[4,5]pyrano[2,3-f][1,3]benzoxazin-6(7H)-one
Compound characteristics
| Compound ID: | E754-0624 |
| Compound Name: | 3-(2-phenylethyl)-3,4,8,9-tetrahydro-2H-cyclopenta[4,5]pyrano[2,3-f][1,3]benzoxazin-6(7H)-one |
| Molecular Weight: | 347.41 |
| Molecular Formula: | C22 H21 N O3 |
| Smiles: | C1CC2=C(C1)c1ccc3c(CN(CCc4ccccc4)CO3)c1OC2=O |
| Stereo: | ACHIRAL |
| logP: | 3.9829 |
| logD: | 3.6869 |
| logSw: | -4.2958 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 33.694 |
| InChI Key: | DQMKFZFSBLOPOZ-UHFFFAOYSA-N |