11-chloro-3-[(2-methoxyphenyl)methyl]-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-methoxyphenyl)methyl]-3,4,8,9-tetrahydro-2H-cyclopenta[4,5]pyrano[2,3-f][1,3]benzoxazin-6(7H)-one
11-chloro-3-[(2-methoxyphenyl)methyl]-3,4,8,9-tetrahydro-2H-cyclopenta[4,5]pyrano[2,3-f][1,3]benzoxazin-6(7H)-one
Compound characteristics
| Compound ID: | D144-0189 |
| Compound Name: | 11-chloro-3-[(2-methoxyphenyl)methyl]-3,4,8,9-tetrahydro-2H-cyclopenta[4,5]pyrano[2,3-f][1,3]benzoxazin-6(7H)-one |
| Molecular Weight: | 397.86 |
| Molecular Formula: | C22 H20 Cl N O4 |
| Smiles: | COc1ccccc1CN1Cc2c3c(cc(c2OC1)[Cl])C1CCCC=1C(=O)O3 |
| Stereo: | ACHIRAL |
| logP: | 4.8214 |
| logD: | 4.7346 |
| logSw: | -4.9703 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 41.03 |
| InChI Key: | FEQWKECLOVITSL-UHFFFAOYSA-N |