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)-4-(methylsulfanyl)-N-(4-nitrophenyl)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)-4-(methylsulfanyl)-N-(4-nitrophenyl)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)-4-(methylsulfanyl)-N-(4-nitrophenyl)butanamide
Compound characteristics
| Compound ID: | 3359-0225 |
| 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)-4-(methylsulfanyl)-N-(4-nitrophenyl)butanamide |
| Molecular Weight: | 527.6 |
| Molecular Formula: | C29 H25 N3 O5 S |
| Smiles: | CSCCC(C(Nc1ccc(cc1)[N+]([O-])=O)=O)N1C(C2C(C3c4ccccc4C2c2ccccc23)C1=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.0436 |
| logD: | 4.037 |
| logSw: | -4.3139 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.731 |
| InChI Key: | IYOPCPHPSUPNQU-UHFFFAOYSA-N |