10-[(3-chlorophenyl)methyl]-8-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-5,11(10H)-dione
Chemical Structure Depiction of
10-[(3-chlorophenyl)methyl]-8-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-5,11(10H)-dione
10-[(3-chlorophenyl)methyl]-8-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-5,11(10H)-dione
Compound characteristics
| Compound ID: | K788-8372 |
| Compound Name: | 10-[(3-chlorophenyl)methyl]-8-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-5,11(10H)-dione |
| Molecular Weight: | 558.06 |
| Molecular Formula: | C29 H24 Cl N5 O3 S |
| Smiles: | C1CN(CCN1C(c1ccc2c(c1)N(Cc1cccc(c1)[Cl])C(c1ccccc1S2=O)=O)=O)c1ncccn1 |
| Stereo: | ACHIRAL |
| logP: | 3.8916 |
| logD: | 3.8916 |
| logSw: | -4.2921 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 69.056 |
| InChI Key: | DULZZVXBMXYAAX-UHFFFAOYSA-N |