4-(2,5-dimethylphenyl)-N-(10-ethyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-8-yl)piperazine-1-carboxamide
Chemical Structure Depiction of
4-(2,5-dimethylphenyl)-N-(10-ethyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-8-yl)piperazine-1-carboxamide
4-(2,5-dimethylphenyl)-N-(10-ethyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-8-yl)piperazine-1-carboxamide
Compound characteristics
| Compound ID: | E006-0300 |
| Compound Name: | 4-(2,5-dimethylphenyl)-N-(10-ethyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-8-yl)piperazine-1-carboxamide |
| Molecular Weight: | 486.64 |
| Molecular Formula: | C28 H30 N4 O2 S |
| Smiles: | CCN1C(c2ccccc2Sc2ccc(cc12)NC(N1CCN(CC1)c1cc(C)ccc1C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.1705 |
| logD: | 6.1693 |
| logSw: | -5.4519 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.825 |
| InChI Key: | HIGAVOXJIBHDRE-UHFFFAOYSA-N |