N-[2-(cyclohex-1-en-1-yl)ethyl]-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-sulfonamide
Chemical Structure Depiction of
N-[2-(cyclohex-1-en-1-yl)ethyl]-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-sulfonamide
N-[2-(cyclohex-1-en-1-yl)ethyl]-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-sulfonamide
Compound characteristics
| Compound ID: | L299-0403 |
| Compound Name: | N-[2-(cyclohex-1-en-1-yl)ethyl]-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-sulfonamide |
| Molecular Weight: | 456.56 |
| Molecular Formula: | C23 H28 N4 O4 S |
| Smiles: | Cc1ccc(cc1S(NCCC1CCCCC=1)(=O)=O)c1c(C)nn2C(CCC(Nc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3945 |
| logD: | 2.1094 |
| logSw: | -2.9575 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 94.205 |
| InChI Key: | IJWVYAKPHHMINM-UHFFFAOYSA-N |