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)-N-(2-methoxyphenyl)-4-(methylsulfanyl)butanamide
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)-N-(2-methoxyphenyl)-4-(methylsulfanyl)butanamide
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)-N-(2-methoxyphenyl)-4-(methylsulfanyl)butanamide
Compound characteristics
| Compound ID: | 3359-0227 |
| 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)-N-(2-methoxyphenyl)-4-(methylsulfanyl)butanamide |
| Molecular Weight: | 512.63 |
| Molecular Formula: | C30 H28 N2 O4 S |
| Smiles: | COc1ccccc1NC(C(CCSC)N1C(C2C(C3c4ccccc4C2c2ccccc23)C1=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.1696 |
| logD: | 4.1694 |
| logSw: | -4.4753 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.282 |
| InChI Key: | QDBRCJQGWLXIDH-UHFFFAOYSA-N |