5-(2-ethyl-5,8-dioxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,3]diazepin-3-yl)-2-methyl-N-[(thiophen-2-yl)methyl]benzene-1-sulfonamide
Chemical Structure Depiction of
5-(2-ethyl-5,8-dioxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,3]diazepin-3-yl)-2-methyl-N-[(thiophen-2-yl)methyl]benzene-1-sulfonamide
5-(2-ethyl-5,8-dioxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,3]diazepin-3-yl)-2-methyl-N-[(thiophen-2-yl)methyl]benzene-1-sulfonamide
Compound characteristics
| Compound ID: | L299-2513 |
| Compound Name: | 5-(2-ethyl-5,8-dioxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,3]diazepin-3-yl)-2-methyl-N-[(thiophen-2-yl)methyl]benzene-1-sulfonamide |
| Molecular Weight: | 458.56 |
| Molecular Formula: | C21 H22 N4 O4 S2 |
| Smiles: | CCc1c(c2ccc(C)c(c2)S(NCc2cccs2)(=O)=O)c2NC(CCC(n2n1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3888 |
| logD: | 2.1135 |
| logSw: | -2.9232 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 95.879 |
| InChI Key: | VKGQAKYARFVFMV-UHFFFAOYSA-N |