3-(4-ethylphenyl)-3,4,8,9-tetrahydro-2H-cyclopenta[4,5]pyrano[2,3-f][1,3]benzoxazin-6(7H)-one
Chemical Structure Depiction of
3-(4-ethylphenyl)-3,4,8,9-tetrahydro-2H-cyclopenta[4,5]pyrano[2,3-f][1,3]benzoxazin-6(7H)-one
3-(4-ethylphenyl)-3,4,8,9-tetrahydro-2H-cyclopenta[4,5]pyrano[2,3-f][1,3]benzoxazin-6(7H)-one
Compound characteristics
| Compound ID: | E754-0570 |
| Compound Name: | 3-(4-ethylphenyl)-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: | CCc1ccc(cc1)N1Cc2c(ccc3C4CCCC=4C(=O)Oc23)OC1 |
| Stereo: | ACHIRAL |
| logP: | 5.0845 |
| logD: | 5.0845 |
| logSw: | -4.8451 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 33.435 |
| InChI Key: | VXWILSIQAXOULW-UHFFFAOYSA-N |