11-chloro-3-[(3,4,5-trimethoxyphenyl)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-[(3,4,5-trimethoxyphenyl)methyl]-3,4,8,9-tetrahydro-2H-cyclopenta[4,5]pyrano[2,3-f][1,3]benzoxazin-6(7H)-one
11-chloro-3-[(3,4,5-trimethoxyphenyl)methyl]-3,4,8,9-tetrahydro-2H-cyclopenta[4,5]pyrano[2,3-f][1,3]benzoxazin-6(7H)-one
Compound characteristics
| Compound ID: | D144-0038 |
| Compound Name: | 11-chloro-3-[(3,4,5-trimethoxyphenyl)methyl]-3,4,8,9-tetrahydro-2H-cyclopenta[4,5]pyrano[2,3-f][1,3]benzoxazin-6(7H)-one |
| Molecular Weight: | 457.91 |
| Molecular Formula: | C24 H24 Cl N O6 |
| Smiles: | COc1cc(CN2Cc3c4c(cc(c3OC2)[Cl])C2CCCC=2C(=O)O4)cc(c1OC)OC |
| Stereo: | ACHIRAL |
| logP: | 4.3767 |
| logD: | 2.4189 |
| logSw: | -4.5859 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 56.377 |
| InChI Key: | BEQNLPKQWPNRPV-UHFFFAOYSA-N |