3-(3-phenylpropyl)-3,4,8,9-tetrahydro-2H-cyclopenta[4,5]pyrano[2,3-f][1,3]benzoxazin-6(7H)-one
Chemical Structure Depiction of
3-(3-phenylpropyl)-3,4,8,9-tetrahydro-2H-cyclopenta[4,5]pyrano[2,3-f][1,3]benzoxazin-6(7H)-one
3-(3-phenylpropyl)-3,4,8,9-tetrahydro-2H-cyclopenta[4,5]pyrano[2,3-f][1,3]benzoxazin-6(7H)-one
Compound characteristics
| Compound ID: | E754-0626 |
| Compound Name: | 3-(3-phenylpropyl)-3,4,8,9-tetrahydro-2H-cyclopenta[4,5]pyrano[2,3-f][1,3]benzoxazin-6(7H)-one |
| Molecular Weight: | 361.44 |
| Molecular Formula: | C23 H23 N O3 |
| Smiles: | C1CC2=C(C1)c1ccc3c(CN(CCCc4ccccc4)CO3)c1OC2=O |
| Stereo: | ACHIRAL |
| logP: | 4.5349 |
| logD: | 3.9943 |
| logSw: | -4.4834 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 33.694 |
| InChI Key: | PLBLSDVYYJCFKV-UHFFFAOYSA-N |