10-[(2-chloro-6-fluorophenyl)methyl]-11-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
10-[(2-chloro-6-fluorophenyl)methyl]-11-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
10-[(2-chloro-6-fluorophenyl)methyl]-11-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
Compound ID: | C380-0566 |
Compound Name: | 10-[(2-chloro-6-fluorophenyl)methyl]-11-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide |
Molecular Weight: | 538.04 |
Molecular Formula: | C28 H25 Cl F N3 O3 S |
Smiles: | C1CC(N(C1)CCCNC(c1ccc2c(c1)N(Cc1c(cccc1[Cl])F)C(c1ccccc1S2)=O)=O)=O |
Stereo: | ACHIRAL |
logP: | 4.1434 |
logD: | 4.1434 |
logSw: | -4.4766 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 57.168 |
InChI Key: | YRPUIHQBQGEWEN-UHFFFAOYSA-N |