ethyl 4-[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)butanamido]benzoate
Chemical Structure Depiction of
ethyl 4-[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)butanamido]benzoate
ethyl 4-[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)butanamido]benzoate
Compound characteristics
| Compound ID: | 3359-0228 |
| Compound Name: | ethyl 4-[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)butanamido]benzoate |
| Molecular Weight: | 554.67 |
| Molecular Formula: | C32 H30 N2 O5 S |
| Smiles: | CCOC(c1ccc(cc1)NC(C(CCSC)N1C(C2C(C3c4ccccc4C2c2ccccc23)C1=O)=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.7193 |
| logD: | 4.719 |
| logSw: | -4.5649 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.103 |
| InChI Key: | NFRZVMZFJWNBKP-UHFFFAOYSA-N |