methyl 4-{[5-(2-ethyl-5,8-dioxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,3]diazepin-3-yl)-2-methylbenzene-1-sulfonyl]amino}benzoate
Chemical Structure Depiction of
methyl 4-{[5-(2-ethyl-5,8-dioxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,3]diazepin-3-yl)-2-methylbenzene-1-sulfonyl]amino}benzoate
methyl 4-{[5-(2-ethyl-5,8-dioxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,3]diazepin-3-yl)-2-methylbenzene-1-sulfonyl]amino}benzoate
Compound characteristics
| Compound ID: | L299-2577 |
| Compound Name: | methyl 4-{[5-(2-ethyl-5,8-dioxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,3]diazepin-3-yl)-2-methylbenzene-1-sulfonyl]amino}benzoate |
| Molecular Weight: | 496.54 |
| Molecular Formula: | C24 H24 N4 O6 S |
| Smiles: | CCc1c(c2ccc(C)c(c2)S(Nc2ccc(cc2)C(=O)OC)(=O)=O)c2NC(CCC(n2n1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7702 |
| logD: | 1.1648 |
| logSw: | -3.3004 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 114.925 |
| InChI Key: | FFQSIBUVWDXMBC-UHFFFAOYSA-N |