10-[(4-chlorophenyl)methyl]-5,11-dioxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
10-[(4-chlorophenyl)methyl]-5,11-dioxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
10-[(4-chlorophenyl)methyl]-5,11-dioxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | C529-0600 |
| Compound Name: | 10-[(4-chlorophenyl)methyl]-5,11-dioxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 536.05 |
| Molecular Formula: | C28 H26 Cl N3 O4 S |
| Smiles: | C1CC(N(C1)CCCNC(c1ccc2c(c1)N(Cc1ccc(cc1)[Cl])C(c1ccccc1S2=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5236 |
| logD: | 2.5236 |
| logSw: | -3.7411 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.552 |
| InChI Key: | PLOHCUYGVJXTIL-UHFFFAOYSA-N |