10-[(4-chlorophenyl)methyl]-5,5,11-trioxo-N-[2-(pyrrolidin-1-yl)ethyl]-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-[2-(pyrrolidin-1-yl)ethyl]-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
10-[(4-chlorophenyl)methyl]-5,5,11-trioxo-N-[2-(pyrrolidin-1-yl)ethyl]-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | C530-1031 |
| Compound Name: | 10-[(4-chlorophenyl)methyl]-5,5,11-trioxo-N-[2-(pyrrolidin-1-yl)ethyl]-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 524.04 |
| Molecular Formula: | C27 H26 Cl N3 O4 S |
| Smiles: | C1CCN(C1)CCNC(c1ccc2c(c1)N(Cc1ccc(cc1)[Cl])C(c1ccccc1S2(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6444 |
| logD: | 2.2362 |
| logSw: | -4.2621 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.984 |
| InChI Key: | RKUGGCFLZFHKSF-UHFFFAOYSA-N |