11-chloro-3-[2-(2-methoxyphenyl)ethyl]-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-(2-methoxyphenyl)ethyl]-3,4,8,9-tetrahydro-2H-cyclopenta[4,5]pyrano[2,3-f][1,3]benzoxazin-6(7H)-one
11-chloro-3-[2-(2-methoxyphenyl)ethyl]-3,4,8,9-tetrahydro-2H-cyclopenta[4,5]pyrano[2,3-f][1,3]benzoxazin-6(7H)-one
Compound characteristics
Compound ID: | D144-0463 |
Compound Name: | 11-chloro-3-[2-(2-methoxyphenyl)ethyl]-3,4,8,9-tetrahydro-2H-cyclopenta[4,5]pyrano[2,3-f][1,3]benzoxazin-6(7H)-one |
Molecular Weight: | 411.88 |
Molecular Formula: | C23 H22 Cl N O4 |
Smiles: | COc1ccccc1CCN1Cc2c3c(cc(c2OC1)[Cl])C1CCCC=1C(=O)O3 |
Stereo: | ACHIRAL |
logP: | 4.9311 |
logD: | 4.4025 |
logSw: | -4.9898 |
Hydrogen bond acceptors count: | 6 |
Polar surface area: | 41.008 |
InChI Key: | YUQMLAUOHYKVKN-UHFFFAOYSA-N |