N-butyl-5-(2-ethyl-5,8-dioxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,3]diazepin-3-yl)-2-methoxy-N-methylbenzene-1-sulfonamide
Chemical Structure Depiction of
N-butyl-5-(2-ethyl-5,8-dioxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,3]diazepin-3-yl)-2-methoxy-N-methylbenzene-1-sulfonamide
N-butyl-5-(2-ethyl-5,8-dioxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,3]diazepin-3-yl)-2-methoxy-N-methylbenzene-1-sulfonamide
Compound characteristics
| Compound ID: | L299-3676 |
| Compound Name: | N-butyl-5-(2-ethyl-5,8-dioxo-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,3]diazepin-3-yl)-2-methoxy-N-methylbenzene-1-sulfonamide |
| Molecular Weight: | 448.54 |
| Molecular Formula: | C21 H28 N4 O5 S |
| Smiles: | CCCCN(C)S(c1cc(ccc1OC)c1c(CC)nn2C(CCC(Nc12)=O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0761 |
| logD: | 1.8008 |
| logSw: | -3.0491 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 93.547 |
| InChI Key: | JXEYIXFMEIQARX-UHFFFAOYSA-N |