N-[2-(dimethylamino)ethyl]-10-[(3-methylphenyl)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-(dimethylamino)ethyl]-10-[(3-methylphenyl)methyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
N-[2-(dimethylamino)ethyl]-10-[(3-methylphenyl)methyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | C530-0585 |
| Compound Name: | N-[2-(dimethylamino)ethyl]-10-[(3-methylphenyl)methyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 477.58 |
| Molecular Formula: | C26 H27 N3 O4 S |
| Smiles: | Cc1cccc(CN2C(c3ccccc3S(c3ccc(cc23)C(NCCN(C)C)=O)(=O)=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 3.2171 |
| logD: | 2.3778 |
| logSw: | -3.7423 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.773 |
| InChI Key: | NZXJLNFYXPQZQO-UHFFFAOYSA-N |