(2E)-3-(3,4-dimethoxyphenyl)-N-[(9,10-dioxo-9,10-dihydroanthracen-2-yl)carbamothioyl]prop-2-enamide
Chemical Structure Depiction of
(2E)-3-(3,4-dimethoxyphenyl)-N-[(9,10-dioxo-9,10-dihydroanthracen-2-yl)carbamothioyl]prop-2-enamide
(2E)-3-(3,4-dimethoxyphenyl)-N-[(9,10-dioxo-9,10-dihydroanthracen-2-yl)carbamothioyl]prop-2-enamide
Compound characteristics
| Compound ID: | IB08-4961 |
| Compound Name: | (2E)-3-(3,4-dimethoxyphenyl)-N-[(9,10-dioxo-9,10-dihydroanthracen-2-yl)carbamothioyl]prop-2-enamide |
| Molecular Weight: | 472.52 |
| Molecular Formula: | C26 H20 N2 O5 S |
| Smiles: | COc1ccc(/C=C/C(NC(Nc2ccc3C(c4ccccc4C(c3c2)=O)=O)=S)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 5.11 |
| logD: | 5.1 |
| logSw: | -6.48 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 197.2 |
| InChI Key: | QFUIIMIXXMJLDL-UHFFFAOYSA-N |