N-{3-[4-(2,5-dimethylphenyl)piperazin-1-yl]propyl}-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
N-{3-[4-(2,5-dimethylphenyl)piperazin-1-yl]propyl}-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
N-{3-[4-(2,5-dimethylphenyl)piperazin-1-yl]propyl}-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | C791-0052 |
| Compound Name: | N-{3-[4-(2,5-dimethylphenyl)piperazin-1-yl]propyl}-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 500.66 |
| Molecular Formula: | C29 H32 N4 O2 S |
| Smiles: | Cc1ccc(C)c(c1)N1CCN(CCCNC(c2ccc3c(c2)NC(c2ccccc2S3)=O)=O)CC1 |
| Stereo: | ACHIRAL |
| logP: | 5.1499 |
| logD: | 4.0034 |
| logSw: | -4.7868 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 56.372 |
| InChI Key: | QPAWPZGHGBTWCD-UHFFFAOYSA-N |