11-chloro-3-[2-(3,4-dimethoxyphenyl)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-(3,4-dimethoxyphenyl)ethyl]-3,4,8,9-tetrahydro-2H-cyclopenta[4,5]pyrano[2,3-f][1,3]benzoxazin-6(7H)-one
11-chloro-3-[2-(3,4-dimethoxyphenyl)ethyl]-3,4,8,9-tetrahydro-2H-cyclopenta[4,5]pyrano[2,3-f][1,3]benzoxazin-6(7H)-one
Compound characteristics
| Compound ID: | D144-0421 |
| Compound Name: | 11-chloro-3-[2-(3,4-dimethoxyphenyl)ethyl]-3,4,8,9-tetrahydro-2H-cyclopenta[4,5]pyrano[2,3-f][1,3]benzoxazin-6(7H)-one |
| Molecular Weight: | 441.91 |
| Molecular Formula: | C24 H24 Cl N O5 |
| Smiles: | COc1ccc(CCN2Cc3c4c(cc(c3OC2)[Cl])C2CCCC=2C(=O)O4)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 4.4128 |
| logD: | 4.3234 |
| logSw: | -4.6806 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 48.639 |
| InChI Key: | IIKPDIRGANGVNK-UHFFFAOYSA-N |