N-(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}phenyl)acetamide
Chemical Structure Depiction of
N-(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}phenyl)acetamide
N-(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}phenyl)acetamide
Compound characteristics
| Compound ID: | L299-2545 |
| Compound Name: | N-(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}phenyl)acetamide |
| Molecular Weight: | 495.56 |
| Molecular Formula: | C24 H25 N5 O5 S |
| Smiles: | CCc1c(c2ccc(C)c(c2)S(Nc2ccc(cc2)NC(C)=O)(=O)=O)c2NC(CCC(n2n1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8806 |
| logD: | 1.5718 |
| logSw: | -2.7756 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 117.013 |
| InChI Key: | NOBUMMSOTANPHI-UHFFFAOYSA-N |