N-(3,4-dimethoxyphenyl)-2-[11-oxo-8-(pyrrolidine-1-carbonyl)dibenzo[b,f][1,4]thiazepin-10(11H)-yl]acetamide
Chemical Structure Depiction of
N-(3,4-dimethoxyphenyl)-2-[11-oxo-8-(pyrrolidine-1-carbonyl)dibenzo[b,f][1,4]thiazepin-10(11H)-yl]acetamide
N-(3,4-dimethoxyphenyl)-2-[11-oxo-8-(pyrrolidine-1-carbonyl)dibenzo[b,f][1,4]thiazepin-10(11H)-yl]acetamide
Compound characteristics
| Compound ID: | K788-3855 |
| Compound Name: | N-(3,4-dimethoxyphenyl)-2-[11-oxo-8-(pyrrolidine-1-carbonyl)dibenzo[b,f][1,4]thiazepin-10(11H)-yl]acetamide |
| Molecular Weight: | 517.6 |
| Molecular Formula: | C28 H27 N3 O5 S |
| Smiles: | COc1ccc(cc1OC)NC(CN1C(c2ccccc2Sc2ccc(cc12)C(N1CCCC1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8288 |
| logD: | 3.8288 |
| logSw: | -3.9817 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.825 |
| InChI Key: | KWEQQXIGRSIRNE-UHFFFAOYSA-N |