10-[(2-fluorophenyl)methyl]-8-[3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-5,11(10H)-dione
Chemical Structure Depiction of
10-[(2-fluorophenyl)methyl]-8-[3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-5,11(10H)-dione
10-[(2-fluorophenyl)methyl]-8-[3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-5,11(10H)-dione
Compound characteristics
| Compound ID: | C529-0679 |
| Compound Name: | 10-[(2-fluorophenyl)methyl]-8-[3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-5,11(10H)-dione |
| Molecular Weight: | 567.68 |
| Molecular Formula: | C33 H30 F N3 O3 S |
| Smiles: | CC1CN(CCN1c1cccc(C)c1)C(c1ccc2c(c1)N(Cc1ccccc1F)C(c1ccccc1S2=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.0918 |
| logD: | 5.0918 |
| logSw: | -4.8155 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 49.912 |
| InChI Key: | YRJRUCUFKXFRIY-UHFFFAOYSA-N |