1,8-bis(chloromethyl)-17-(2-methylphenyl)-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
Chemical Structure Depiction of
1,8-bis(chloromethyl)-17-(2-methylphenyl)-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
1,8-bis(chloromethyl)-17-(2-methylphenyl)-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
Compound characteristics
| Compound ID: | 8007-9591 |
| Compound Name: | 1,8-bis(chloromethyl)-17-(2-methylphenyl)-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione |
| Molecular Weight: | 462.37 |
| Molecular Formula: | C27 H21 Cl2 N O2 |
| Smiles: | Cc1ccccc1N1C(C2C(C1=O)C1(C[Cl])c3ccccc3C2(C[Cl])c2ccccc12)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.0642 |
| logD: | 5.0642 |
| logSw: | -4.6393 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 28.1485 |
| InChI Key: | KRKOWJSUXISCGP-UHFFFAOYSA-N |