2-[3-tert-butyl-1-(3-methylphenyl)-7-oxo-4-(thiophen-2-yl)-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(furan-2-yl)methyl]acetamide
Chemical Structure Depiction of
2-[3-tert-butyl-1-(3-methylphenyl)-7-oxo-4-(thiophen-2-yl)-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(furan-2-yl)methyl]acetamide
2-[3-tert-butyl-1-(3-methylphenyl)-7-oxo-4-(thiophen-2-yl)-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(furan-2-yl)methyl]acetamide
Compound characteristics
Compound ID: | V012-0200 |
Compound Name: | 2-[3-tert-butyl-1-(3-methylphenyl)-7-oxo-4-(thiophen-2-yl)-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(furan-2-yl)methyl]acetamide |
Molecular Weight: | 534.7 |
Molecular Formula: | C28 H30 N4 O3 S2 |
Smiles: | Cc1cccc(c1)n1c2c(C(c3cccs3)SCC(N2CC(NCc2ccco2)=O)=O)c(C(C)(C)C)n1 |
Stereo: | RACEMIC MIXTURE |
logP: | 5.9568 |
logD: | 5.9568 |
logSw: | -5.4157 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 63.535 |
InChI Key: | YJIPJTUYEXZQSM-VWLOTQADSA-N |