10-[(4-fluorophenyl)methyl]-8-[4-(pyridin-2-yl)piperazine-1-carbonyl]-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-5,11(10H)-dione
Chemical Structure Depiction of
10-[(4-fluorophenyl)methyl]-8-[4-(pyridin-2-yl)piperazine-1-carbonyl]-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-5,11(10H)-dione
10-[(4-fluorophenyl)methyl]-8-[4-(pyridin-2-yl)piperazine-1-carbonyl]-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-5,11(10H)-dione
Compound characteristics
| Compound ID: | C529-0820 |
| Compound Name: | 10-[(4-fluorophenyl)methyl]-8-[4-(pyridin-2-yl)piperazine-1-carbonyl]-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-5,11(10H)-dione |
| Molecular Weight: | 540.62 |
| Molecular Formula: | C30 H25 F N4 O3 S |
| Smiles: | C1CN(CCN1C(c1ccc2c(c1)N(Cc1ccc(cc1)F)C(c1ccccc1S2=O)=O)=O)c1ccccn1 |
| Stereo: | ACHIRAL |
| logP: | 3.7681 |
| logD: | 3.7593 |
| logSw: | -4.107 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 59.205 |
| InChI Key: | BXFVPWLXQKBUOV-UHFFFAOYSA-N |