10-[(2-fluorophenyl)methyl]-8-[4-(4-methoxyphenyl)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-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-5,11(10H)-dione
10-[(2-fluorophenyl)methyl]-8-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-5,11(10H)-dione
Compound characteristics
| Compound ID: | C529-0696 |
| Compound Name: | 10-[(2-fluorophenyl)methyl]-8-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-5,11(10H)-dione |
| Molecular Weight: | 569.66 |
| Molecular Formula: | C32 H28 F N3 O4 S |
| Smiles: | COc1ccc(cc1)N1CCN(CC1)C(c1ccc2c(c1)N(Cc1ccccc1F)C(c1ccccc1S2=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3158 |
| logD: | 4.3158 |
| logSw: | -4.2818 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 58.237 |
| InChI Key: | CVIGYNURGVMXNU-UHFFFAOYSA-N |