3-butyl-3,4,8,9-tetrahydro-2H-cyclopenta[4,5]pyrano[2,3-f][1,3]benzoxazin-6(7H)-one
Chemical Structure Depiction of
3-butyl-3,4,8,9-tetrahydro-2H-cyclopenta[4,5]pyrano[2,3-f][1,3]benzoxazin-6(7H)-one
3-butyl-3,4,8,9-tetrahydro-2H-cyclopenta[4,5]pyrano[2,3-f][1,3]benzoxazin-6(7H)-one
Compound characteristics
| Compound ID: | E754-0612 |
| Compound Name: | 3-butyl-3,4,8,9-tetrahydro-2H-cyclopenta[4,5]pyrano[2,3-f][1,3]benzoxazin-6(7H)-one |
| Molecular Weight: | 299.37 |
| Molecular Formula: | C18 H21 N O3 |
| Smiles: | CCCCN1Cc2c(ccc3C4CCCC=4C(=O)Oc23)OC1 |
| Stereo: | ACHIRAL |
| logP: | 3.5577 |
| logD: | 2.6914 |
| logSw: | -3.7854 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 33.965 |
| InChI Key: | PDEHGVDZIXPAEN-UHFFFAOYSA-N |