10-[(3-chlorophenyl)methyl]-5,11-dioxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
10-[(3-chlorophenyl)methyl]-5,11-dioxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
10-[(3-chlorophenyl)methyl]-5,11-dioxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | K788-8349 |
| Compound Name: | 10-[(3-chlorophenyl)methyl]-5,11-dioxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 541.07 |
| Molecular Formula: | C31 H25 Cl N2 O3 S |
| Smiles: | C1CC(c2ccccc2C1)NC(c1ccc2c(c1)N(Cc1cccc(c1)[Cl])C(c1ccccc1S2=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.7536 |
| logD: | 5.7536 |
| logSw: | -5.8627 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.042 |
| InChI Key: | RPGVUBFSXDLION-UHFFFAOYSA-N |