(4-{[5-butyl-6-(cyclopentylcarbamoyl)-6-methyl-4-oxo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carbonyl]amino}-2-chlorophenyl)methyl 5-(2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanoate
Chemical Structure Depiction of
(4-{[5-butyl-6-(cyclopentylcarbamoyl)-6-methyl-4-oxo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carbonyl]amino}-2-chlorophenyl)methyl 5-(2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanoate
(4-{[5-butyl-6-(cyclopentylcarbamoyl)-6-methyl-4-oxo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carbonyl]amino}-2-chlorophenyl)methyl 5-(2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanoate
Compound characteristics
| Compound ID: | E852-5671 |
| Compound Name: | (4-{[5-butyl-6-(cyclopentylcarbamoyl)-6-methyl-4-oxo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carbonyl]amino}-2-chlorophenyl)methyl 5-(2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanoate |
| Molecular Weight: | 728.31 |
| Molecular Formula: | C35 H46 Cl N7 O6 S |
| Smiles: | CCCCN1C(c2cc(C(Nc3ccc(COC(CCCCC4C5C(CS4)NC(N5)=O)=O)c(c3)[Cl])=O)nn2CC1(C)C(NC1CCCC1)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.0941 |
| logD: | 5.0824 |
| logSw: | -5.3675 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 135.103 |
| InChI Key: | OYFIHGVCRNAXLV-UHFFFAOYSA-N |