3-benzyl-11-chloro-3,4,8,9-tetrahydro-2H-cyclopenta[4,5]pyrano[2,3-f][1,3]benzoxazin-6(7H)-one
Chemical Structure Depiction of
3-benzyl-11-chloro-3,4,8,9-tetrahydro-2H-cyclopenta[4,5]pyrano[2,3-f][1,3]benzoxazin-6(7H)-one
3-benzyl-11-chloro-3,4,8,9-tetrahydro-2H-cyclopenta[4,5]pyrano[2,3-f][1,3]benzoxazin-6(7H)-one
Compound characteristics
| Compound ID: | D144-0094 |
| Compound Name: | 3-benzyl-11-chloro-3,4,8,9-tetrahydro-2H-cyclopenta[4,5]pyrano[2,3-f][1,3]benzoxazin-6(7H)-one |
| Molecular Weight: | 367.83 |
| Molecular Formula: | C21 H18 Cl N O3 |
| Smiles: | C1CC2=C(C1)c1cc(c3c(CN(Cc4ccccc4)CO3)c1OC2=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.7154 |
| logD: | 4.6329 |
| logSw: | -5.0009 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 33.4 |
| InChI Key: | GYYUCVFVZBTUIK-UHFFFAOYSA-N |