2-(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)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carbonitrile
Chemical Structure Depiction of
2-(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)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carbonitrile
2-(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)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carbonitrile
Compound characteristics
| Compound ID: | 8010-5907 |
| Compound Name: | 2-(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)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carbonitrile |
| Molecular Weight: | 450.56 |
| Molecular Formula: | C28 H22 N2 O2 S |
| Smiles: | C1CCc2c(C#N)c(N3C(C4C(C5c6ccccc6C4c4ccccc45)C3=O)=O)sc2CC1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.0288 |
| logD: | 5.0288 |
| logSw: | -4.977 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 46.826 |
| InChI Key: | RPXJQDYZWUUNHH-UHFFFAOYSA-N |