ethyl 4-[10-methyl-3-oxo-5-({3-[(propan-2-yl)oxy]propyl}carbamoyl)-2,3,5,10-tetrahydro-4H-[1,4]thiazepino[7,6-b]indol-4-yl]benzoate
Chemical Structure Depiction of
ethyl 4-[10-methyl-3-oxo-5-({3-[(propan-2-yl)oxy]propyl}carbamoyl)-2,3,5,10-tetrahydro-4H-[1,4]thiazepino[7,6-b]indol-4-yl]benzoate
ethyl 4-[10-methyl-3-oxo-5-({3-[(propan-2-yl)oxy]propyl}carbamoyl)-2,3,5,10-tetrahydro-4H-[1,4]thiazepino[7,6-b]indol-4-yl]benzoate
Compound characteristics
| Compound ID: | G202-0456 |
| Compound Name: | ethyl 4-[10-methyl-3-oxo-5-({3-[(propan-2-yl)oxy]propyl}carbamoyl)-2,3,5,10-tetrahydro-4H-[1,4]thiazepino[7,6-b]indol-4-yl]benzoate |
| Molecular Weight: | 523.65 |
| Molecular Formula: | C28 H33 N3 O5 S |
| Smiles: | CCOC(c1ccc(cc1)N1C(C(NCCCOC(C)C)=O)c2c3ccccc3n(C)c2SCC1=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0017 |
| logD: | 4.0017 |
| logSw: | -3.9727 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.057 |
| InChI Key: | UGLZPDIMOFSVDS-VWLOTQADSA-N |