propan-2-yl 2,3-dioxo-1,10a-diphenyl-2,3,5,10a-tetrahydro-1H-pyrrolo[2,3-b][1,5]benzothiazepine-4-carboxylate
Chemical Structure Depiction of
propan-2-yl 2,3-dioxo-1,10a-diphenyl-2,3,5,10a-tetrahydro-1H-pyrrolo[2,3-b][1,5]benzothiazepine-4-carboxylate
propan-2-yl 2,3-dioxo-1,10a-diphenyl-2,3,5,10a-tetrahydro-1H-pyrrolo[2,3-b][1,5]benzothiazepine-4-carboxylate
Compound characteristics
| Compound ID: | Y010-1538 |
| Compound Name: | propan-2-yl 2,3-dioxo-1,10a-diphenyl-2,3,5,10a-tetrahydro-1H-pyrrolo[2,3-b][1,5]benzothiazepine-4-carboxylate |
| Molecular Weight: | 470.55 |
| Molecular Formula: | C27 H22 N2 O4 S |
| Smiles: | CC(C)OC(C1=C2C(C(N(c3ccccc3)C2(c2ccccc2)Sc2ccccc2N1)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.2398 |
| logD: | 5.2387 |
| logSw: | -5.104 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.569 |
| InChI Key: | XKOCTEDSCXLXAW-HHHXNRCGSA-N |