8-(4-benzylpiperidine-1-carbonyl)-10-[(3-chlorophenyl)methyl]-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-5,11(10H)-dione
Chemical Structure Depiction of
8-(4-benzylpiperidine-1-carbonyl)-10-[(3-chlorophenyl)methyl]-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-5,11(10H)-dione
8-(4-benzylpiperidine-1-carbonyl)-10-[(3-chlorophenyl)methyl]-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-5,11(10H)-dione
Compound characteristics
| Compound ID: | K788-8345 |
| Compound Name: | 8-(4-benzylpiperidine-1-carbonyl)-10-[(3-chlorophenyl)methyl]-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-5,11(10H)-dione |
| Molecular Weight: | 569.12 |
| Molecular Formula: | C33 H29 Cl N2 O3 S |
| Smiles: | C1CN(CCC1Cc1ccccc1)C(c1ccc2c(c1)N(Cc1cccc(c1)[Cl])C(c1ccccc1S2=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.0625 |
| logD: | 6.0625 |
| logSw: | -6.1531 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 47.161 |
| InChI Key: | IUUAXYDXFAMNHH-UHFFFAOYSA-N |