8-(4-benzylpiperazine-1-carbonyl)-10-[(3-methylphenyl)methyl]-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-5,5,11(10H)-trione
Chemical Structure Depiction of
8-(4-benzylpiperazine-1-carbonyl)-10-[(3-methylphenyl)methyl]-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-5,5,11(10H)-trione
8-(4-benzylpiperazine-1-carbonyl)-10-[(3-methylphenyl)methyl]-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-5,5,11(10H)-trione
Compound characteristics
| Compound ID: | C530-0553 |
| Compound Name: | 8-(4-benzylpiperazine-1-carbonyl)-10-[(3-methylphenyl)methyl]-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-5,5,11(10H)-trione |
| Molecular Weight: | 565.69 |
| Molecular Formula: | C33 H31 N3 O4 S |
| Smiles: | Cc1cccc(CN2C(c3ccccc3S(c3ccc(cc23)C(N2CCN(CC2)Cc2ccccc2)=O)(=O)=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.5287 |
| logD: | 4.5133 |
| logSw: | -4.2881 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 64.57 |
| InChI Key: | DBICZDWXTDIFGI-UHFFFAOYSA-N |