8-(4-benzylpiperazine-1-carbonyl)-10-[(2,5-dimethylphenyl)methyl]-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-5,11(10H)-dione
Chemical Structure Depiction of
8-(4-benzylpiperazine-1-carbonyl)-10-[(2,5-dimethylphenyl)methyl]-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-5,11(10H)-dione
8-(4-benzylpiperazine-1-carbonyl)-10-[(2,5-dimethylphenyl)methyl]-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-5,11(10H)-dione
Compound characteristics
| Compound ID: | C529-0949 |
| Compound Name: | 8-(4-benzylpiperazine-1-carbonyl)-10-[(2,5-dimethylphenyl)methyl]-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-5,11(10H)-dione |
| Molecular Weight: | 563.72 |
| Molecular Formula: | C34 H33 N3 O3 S |
| Smiles: | Cc1ccc(C)c(CN2C(c3ccccc3S(c3ccc(cc23)C(N2CCN(CC2)Cc2ccccc2)=O)=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.7986 |
| logD: | 4.7831 |
| logSw: | -4.4505 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 50.973 |
| InChI Key: | MMRWLVMLTLINEY-UHFFFAOYSA-N |