10-[(4-chlorophenyl)methyl]-5,5,11-trioxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
10-[(4-chlorophenyl)methyl]-5,5,11-trioxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
10-[(4-chlorophenyl)methyl]-5,5,11-trioxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | C530-1000 |
| Compound Name: | 10-[(4-chlorophenyl)methyl]-5,5,11-trioxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 557.07 |
| Molecular Formula: | C31 H25 Cl N2 O4 S |
| Smiles: | C1CC(c2ccccc2C1)NC(c1ccc2c(c1)N(Cc1ccc(cc1)[Cl])C(c1ccccc1S2(=O)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.8225 |
| logD: | 5.8224 |
| logSw: | -5.9569 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.638 |
| InChI Key: | DHBZVMLAYSACMB-SANMLTNESA-N |