N-{3-[bis(2-methylpropyl)amino]propyl}-10-ethyl-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
N-{3-[bis(2-methylpropyl)amino]propyl}-10-ethyl-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
N-{3-[bis(2-methylpropyl)amino]propyl}-10-ethyl-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | C530-0382 |
| Compound Name: | N-{3-[bis(2-methylpropyl)amino]propyl}-10-ethyl-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 499.67 |
| Molecular Formula: | C27 H37 N3 O4 S |
| Smiles: | CCN1C(c2ccccc2S(c2ccc(cc12)C(NCCCN(CC(C)C)CC(C)C)=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9068 |
| logD: | 1.1113 |
| logSw: | -3.9013 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.865 |
| InChI Key: | NGHGBBXVLHAEQB-UHFFFAOYSA-N |