ethyl 4-{5-[(3-ethoxypropyl)carbamoyl]-10-methyl-3-oxo-2,3,5,10-tetrahydro-4H-[1,4]thiazepino[7,6-b]indol-4-yl}benzoate
Chemical Structure Depiction of
ethyl 4-{5-[(3-ethoxypropyl)carbamoyl]-10-methyl-3-oxo-2,3,5,10-tetrahydro-4H-[1,4]thiazepino[7,6-b]indol-4-yl}benzoate
ethyl 4-{5-[(3-ethoxypropyl)carbamoyl]-10-methyl-3-oxo-2,3,5,10-tetrahydro-4H-[1,4]thiazepino[7,6-b]indol-4-yl}benzoate
Compound characteristics
| Compound ID: | G202-0048 |
| Compound Name: | ethyl 4-{5-[(3-ethoxypropyl)carbamoyl]-10-methyl-3-oxo-2,3,5,10-tetrahydro-4H-[1,4]thiazepino[7,6-b]indol-4-yl}benzoate |
| Molecular Weight: | 509.62 |
| Molecular Formula: | C27 H31 N3 O5 S |
| Smiles: | CCOCCCNC(C1c2c3ccccc3n(C)c2SCC(N1c1ccc(cc1)C(=O)OCC)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8314 |
| logD: | 3.8314 |
| logSw: | -3.8516 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.833 |
| InChI Key: | URDLJRBOTZSHBU-DEOSSOPVSA-N |