4-[(4-methoxyphenyl)methyl]-10-methyl-3-oxo-N-{3-[(propan-2-yl)oxy]propyl}-3,4,5,10-tetrahydro-2H-[1,4]thiazepino[7,6-b]indole-5-carboxamide
Chemical Structure Depiction of
4-[(4-methoxyphenyl)methyl]-10-methyl-3-oxo-N-{3-[(propan-2-yl)oxy]propyl}-3,4,5,10-tetrahydro-2H-[1,4]thiazepino[7,6-b]indole-5-carboxamide
4-[(4-methoxyphenyl)methyl]-10-methyl-3-oxo-N-{3-[(propan-2-yl)oxy]propyl}-3,4,5,10-tetrahydro-2H-[1,4]thiazepino[7,6-b]indole-5-carboxamide
Compound characteristics
| Compound ID: | G202-0442 |
| Compound Name: | 4-[(4-methoxyphenyl)methyl]-10-methyl-3-oxo-N-{3-[(propan-2-yl)oxy]propyl}-3,4,5,10-tetrahydro-2H-[1,4]thiazepino[7,6-b]indole-5-carboxamide |
| Molecular Weight: | 495.64 |
| Molecular Formula: | C27 H33 N3 O4 S |
| Smiles: | CC(C)OCCCNC(C1c2c3ccccc3n(C)c2SCC(N1Cc1ccc(cc1)OC)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4631 |
| logD: | 3.4631 |
| logSw: | -3.7533 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.459 |
| InChI Key: | PVZATUIDIINJIB-VWLOTQADSA-N |