10-[(2,5-dimethylphenyl)methyl]-8-[3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-5,5,11(10H)-trione
Chemical Structure Depiction of
10-[(2,5-dimethylphenyl)methyl]-8-[3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-5,5,11(10H)-trione
10-[(2,5-dimethylphenyl)methyl]-8-[3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-5,5,11(10H)-trione
Compound characteristics
| Compound ID: | C530-1339 |
| Compound Name: | 10-[(2,5-dimethylphenyl)methyl]-8-[3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-5,5,11(10H)-trione |
| Molecular Weight: | 593.75 |
| Molecular Formula: | C35 H35 N3 O4 S |
| Smiles: | CC1CN(CCN1c1cccc(C)c1)C(c1ccc2c(c1)N(Cc1cc(C)ccc1C)C(c1ccccc1S2(=O)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.127 |
| logD: | 6.127 |
| logSw: | -5.4238 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 63.508 |
| InChI Key: | QETDLBCEGXXODR-SANMLTNESA-N |