ethyl 3-(1-methyl-16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaen-17-yl)benzoate
Chemical Structure Depiction of
ethyl 3-(1-methyl-16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaen-17-yl)benzoate
ethyl 3-(1-methyl-16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaen-17-yl)benzoate
Compound characteristics
Compound ID: | 2360-0336 |
Compound Name: | ethyl 3-(1-methyl-16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaen-17-yl)benzoate |
Molecular Weight: | 437.49 |
Molecular Formula: | C28 H23 N O4 |
Smiles: | CCOC(c1cccc(c1)N1C(C2C3c4ccccc4C(C)(C2C1=O)c1ccccc13)=O)=O |
Stereo: | MIXTURE OF STEREOISOMERS |
logP: | 4.3023 |
logD: | 4.3023 |
logSw: | -4.4563 |
Hydrogen bond acceptors count: | 7 |
Polar surface area: | 49.203 |
InChI Key: | BHBIYBDSWCBWHG-UHFFFAOYSA-N |