N-{2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethyl}-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
N-{2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethyl}-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
N-{2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethyl}-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | C791-0099 |
| Compound Name: | N-{2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethyl}-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 486.64 |
| Molecular Formula: | C28 H30 N4 O2 S |
| Smiles: | Cc1cccc(c1C)N1CCN(CCNC(c2ccc3c(c2)NC(c2ccccc2S3)=O)=O)CC1 |
| Stereo: | ACHIRAL |
| logP: | 4.9924 |
| logD: | 4.8784 |
| logSw: | -4.3813 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 56.372 |
| InChI Key: | IOXHHZILTQPFJR-UHFFFAOYSA-N |