8-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]dibenzo[b,f][1,4]thiazepin-11(10H)-one
Chemical Structure Depiction of
8-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]dibenzo[b,f][1,4]thiazepin-11(10H)-one
8-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]dibenzo[b,f][1,4]thiazepin-11(10H)-one
Compound characteristics
| Compound ID: | C791-0055 |
| Compound Name: | 8-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]dibenzo[b,f][1,4]thiazepin-11(10H)-one |
| Molecular Weight: | 443.57 |
| Molecular Formula: | C26 H25 N3 O2 S |
| Smiles: | Cc1ccc(C)c(c1)N1CCN(CC1)C(c1ccc2c(c1)NC(c1ccccc1S2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1903 |
| logD: | 5.1901 |
| logSw: | -4.9063 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.783 |
| InChI Key: | KPVRBBFREAKGOT-UHFFFAOYSA-N |