N-{3-[(4-anilino-2,5-dioxo-1-phenyl-2,5-dihydro-1H-pyrrol-3-yl)sulfanyl]phenyl}-2,4-dimethoxybenzamide
Chemical Structure Depiction of
N-{3-[(4-anilino-2,5-dioxo-1-phenyl-2,5-dihydro-1H-pyrrol-3-yl)sulfanyl]phenyl}-2,4-dimethoxybenzamide
N-{3-[(4-anilino-2,5-dioxo-1-phenyl-2,5-dihydro-1H-pyrrol-3-yl)sulfanyl]phenyl}-2,4-dimethoxybenzamide
Compound characteristics
| Compound ID: | V027-9184 |
| Compound Name: | N-{3-[(4-anilino-2,5-dioxo-1-phenyl-2,5-dihydro-1H-pyrrol-3-yl)sulfanyl]phenyl}-2,4-dimethoxybenzamide |
| Molecular Weight: | 551.62 |
| Molecular Formula: | C31 H25 N3 O5 S |
| Salt: | not_available |
| Smiles: | COc1ccc(C(Nc2cccc(c2)SC2=C(C(N(C2=O)c2ccccc2)=O)Nc2ccccc2)=O)c(c1)OC |
| Stereo: | ACHIRAL |
| logP: | 4.8501 |
| logD: | 4.8492 |
| logSw: | -4.6147 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.257 |
| InChI Key: | ZUILMCMQOQCZQU-UHFFFAOYSA-N |