10-[(3-chlorophenyl)methyl]-N-{4-[(4-methylpiperidin-1-yl)methyl]phenyl}-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
10-[(3-chlorophenyl)methyl]-N-{4-[(4-methylpiperidin-1-yl)methyl]phenyl}-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
10-[(3-chlorophenyl)methyl]-N-{4-[(4-methylpiperidin-1-yl)methyl]phenyl}-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | C700-1241 |
| Compound Name: | 10-[(3-chlorophenyl)methyl]-N-{4-[(4-methylpiperidin-1-yl)methyl]phenyl}-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 614.16 |
| Molecular Formula: | C34 H32 Cl N3 O4 S |
| Smiles: | CC1CCN(CC1)Cc1ccc(cc1)NC(c1ccc2c(c1)N(Cc1cccc(c1)[Cl])C(c1ccccc1S2(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.0637 |
| logD: | 4.614 |
| logSw: | -5.9415 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.205 |
| InChI Key: | MTGUCBDZBBCERJ-UHFFFAOYSA-N |