methyl 4-{[2-methyl-5-(2-methyl-5,8-dioxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,3]diazepin-3-yl)benzene-1-sulfonyl]amino}benzoate
Chemical Structure Depiction of
methyl 4-{[2-methyl-5-(2-methyl-5,8-dioxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,3]diazepin-3-yl)benzene-1-sulfonyl]amino}benzoate
methyl 4-{[2-methyl-5-(2-methyl-5,8-dioxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,3]diazepin-3-yl)benzene-1-sulfonyl]amino}benzoate
Compound characteristics
| Compound ID: | L299-0612 |
| Compound Name: | methyl 4-{[2-methyl-5-(2-methyl-5,8-dioxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,3]diazepin-3-yl)benzene-1-sulfonyl]amino}benzoate |
| Molecular Weight: | 482.51 |
| Molecular Formula: | C23 H22 N4 O6 S |
| Smiles: | Cc1ccc(cc1S(Nc1ccc(cc1)C(=O)OC)(=O)=O)c1c(C)nn2C(CCC(Nc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0549 |
| logD: | 0.4495 |
| logSw: | -2.8911 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 114.237 |
| InChI Key: | SHCLWHDVEHQXIJ-UHFFFAOYSA-N |