4-[(furan-2-yl)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-[(furan-2-yl)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-[(furan-2-yl)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: | G202-0426 |
Compound Name: | 4-[(furan-2-yl)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: | 455.58 |
Molecular Formula: | C24 H29 N3 O4 S |
Smiles: | CC(C)OCCCNC(C1c2c3ccccc3n(C)c2SCC(N1Cc1ccco1)=O)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 3.0498 |
logD: | 3.0498 |
logSw: | -3.2011 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 56.664 |
InChI Key: | BTFAZRYPAWXRFT-QFIPXVFZSA-N |