N-butyl-10-[(3-chlorophenyl)methyl]-N-methyl-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
N-butyl-10-[(3-chlorophenyl)methyl]-N-methyl-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
N-butyl-10-[(3-chlorophenyl)methyl]-N-methyl-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | K788-8308 |
| Compound Name: | N-butyl-10-[(3-chlorophenyl)methyl]-N-methyl-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 481.01 |
| Molecular Formula: | C26 H25 Cl N2 O3 S |
| Smiles: | CCCCN(C)C(c1ccc2c(c1)N(Cc1cccc(c1)[Cl])C(c1ccccc1S2=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2342 |
| logD: | 4.2342 |
| logSw: | -4.3598 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 47.185 |
| InChI Key: | ATGKVKUMCHZHCE-UHFFFAOYSA-N |