N-(2,5-dimethylphenyl)-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)butanamide
Chemical Structure Depiction of
N-(2,5-dimethylphenyl)-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)butanamide
N-(2,5-dimethylphenyl)-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)butanamide
Compound characteristics
| Compound ID: | 3359-0235 |
| Compound Name: | N-(2,5-dimethylphenyl)-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)butanamide |
| Molecular Weight: | 510.66 |
| Molecular Formula: | C31 H30 N2 O3 S |
| Smiles: | Cc1ccc(C)c(c1)NC(C(CCSC)N1C(C2C(C3c4ccccc4C2c2ccccc23)C1=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.4577 |
| logD: | 4.4577 |
| logSw: | -4.3717 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.651 |
| InChI Key: | IEMIGWNCLGHFND-UHFFFAOYSA-N |