10-[(4-chlorophenyl)methyl]-N,N-diethyl-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
10-[(4-chlorophenyl)methyl]-N,N-diethyl-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
10-[(4-chlorophenyl)methyl]-N,N-diethyl-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | C529-0548 |
| Compound Name: | 10-[(4-chlorophenyl)methyl]-N,N-diethyl-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 466.99 |
| Molecular Formula: | C25 H23 Cl N2 O3 S |
| Smiles: | CCN(CC)C(c1ccc2c(c1)N(Cc1ccc(cc1)[Cl])C(c1ccccc1S2=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6816 |
| logD: | 3.6816 |
| logSw: | -4.2029 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 46.717 |
| InChI Key: | UHEGFZXYXUXKCD-UHFFFAOYSA-N |