11-chloro-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
11-chloro-3-(2-phenylethyl)-3,4,8,9-tetrahydro-2H-cyclopenta[4,5]pyrano[2,3-f][1,3]benzoxazin-6(7H)-one
11-chloro-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: | D144-0322 |
| Compound Name: | 11-chloro-3-(2-phenylethyl)-3,4,8,9-tetrahydro-2H-cyclopenta[4,5]pyrano[2,3-f][1,3]benzoxazin-6(7H)-one |
| Molecular Weight: | 381.86 |
| Molecular Formula: | C22 H20 Cl N O3 |
| Smiles: | C1CC2=C(C1)c1cc(c3c(CN(CCc4ccccc4)CO3)c1OC2=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.8957 |
| logD: | 4.7443 |
| logSw: | -5.0453 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 33.378 |
| InChI Key: | QGPKDKOLOGDSDD-UHFFFAOYSA-N |