N-{1-[(4-bromophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-yl}-N'-(2,5-dimethylphenyl)-N-[1-(naphthalen-1-yl)-2,5-dioxopyrrolidin-3-yl]thiourea
Chemical Structure Depiction of
N-{1-[(4-bromophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-yl}-N'-(2,5-dimethylphenyl)-N-[1-(naphthalen-1-yl)-2,5-dioxopyrrolidin-3-yl]thiourea
N-{1-[(4-bromophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-yl}-N'-(2,5-dimethylphenyl)-N-[1-(naphthalen-1-yl)-2,5-dioxopyrrolidin-3-yl]thiourea
Compound characteristics
| Compound ID: | Y508-9131 |
| Compound Name: | N-{1-[(4-bromophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-yl}-N'-(2,5-dimethylphenyl)-N-[1-(naphthalen-1-yl)-2,5-dioxopyrrolidin-3-yl]thiourea |
| Molecular Weight: | 666.64 |
| Molecular Formula: | C35 H32 Br N5 O2 S |
| Smiles: | Cc1ccc(C)c(c1)NC(N(C1CC(N(C1=O)c1cccc2ccccc12)=O)c1c(C)nn(Cc2ccc(cc2)[Br])c1C)=S |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.3002 |
| logD: | 6.3002 |
| logSw: | -6.7054 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.066 |
| InChI Key: | DCVPWYOMEIJEQP-HKBQPEDESA-N |