10-[(4-fluorophenyl)methyl]-8-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-5,5,11(10H)-trione
Chemical Structure Depiction of
10-[(4-fluorophenyl)methyl]-8-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-5,5,11(10H)-trione
10-[(4-fluorophenyl)methyl]-8-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-5,5,11(10H)-trione
Compound characteristics
| Compound ID: | C530-1224 |
| Compound Name: | 10-[(4-fluorophenyl)methyl]-8-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-5,5,11(10H)-trione |
| Molecular Weight: | 585.65 |
| Molecular Formula: | C32 H28 F N3 O5 S |
| Smiles: | COc1ccc(cc1)N1CCN(CC1)C(c1ccc2c(c1)N(Cc1ccc(cc1)F)C(c1ccccc1S2(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3341 |
| logD: | 4.3341 |
| logSw: | -4.2681 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 71.833 |
| InChI Key: | XNUGMQUBPGFTJD-UHFFFAOYSA-N |