4-(1-acetyl-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)phenyl acetate
Chemical Structure Depiction of
4-(1-acetyl-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)phenyl acetate
4-(1-acetyl-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)phenyl acetate
Compound characteristics
| Compound ID: | 1650-0361 |
| Compound Name: | 4-(1-acetyl-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)phenyl acetate |
| Molecular Weight: | 451.48 |
| Molecular Formula: | C28 H21 N O5 |
| Smiles: | CC(C12C3C(C(c4ccccc14)c1ccccc12)C(N(C3=O)c1ccc(cc1)OC(C)=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.7599 |
| logD: | 2.7598 |
| logSw: | -3.4591 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 63.027 |
| InChI Key: | CIZJDXHSLVSQHL-UHFFFAOYSA-N |