N-[2-(azepan-1-yl)ethyl]-10-[(4-chlorophenyl)methyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
N-[2-(azepan-1-yl)ethyl]-10-[(4-chlorophenyl)methyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
N-[2-(azepan-1-yl)ethyl]-10-[(4-chlorophenyl)methyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | C530-1029 |
| Compound Name: | N-[2-(azepan-1-yl)ethyl]-10-[(4-chlorophenyl)methyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 552.09 |
| Molecular Formula: | C29 H30 Cl N3 O4 S |
| Smiles: | C1CCCN(CC1)CCNC(c1ccc2c(c1)N(Cc1ccc(cc1)[Cl])C(c1ccccc1S2(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5046 |
| logD: | 3.5279 |
| logSw: | -4.6222 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.949 |
| InChI Key: | AHDAFPMWXRIYDL-UHFFFAOYSA-N |