N-[2-(4-chlorophenyl)ethyl]-10-[(3-methoxyphenyl)methyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
N-[2-(4-chlorophenyl)ethyl]-10-[(3-methoxyphenyl)methyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
N-[2-(4-chlorophenyl)ethyl]-10-[(3-methoxyphenyl)methyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | C380-0455 |
| Compound Name: | N-[2-(4-chlorophenyl)ethyl]-10-[(3-methoxyphenyl)methyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 529.06 |
| Molecular Formula: | C30 H25 Cl N2 O3 S |
| Smiles: | COc1cccc(CN2C(c3ccccc3Sc3ccc(cc23)C(NCCc2ccc(cc2)[Cl])=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 6.4279 |
| logD: | 6.4279 |
| logSw: | -6.1032 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.199 |
| InChI Key: | ICNKYZDSUXGQOD-UHFFFAOYSA-N |