3-(benzenesulfonyl)-5,6,9-trimethyl-2-(methylsulfanyl)-6,7,8,9-tetrahydropyrazolo[1,5-a]pteridine--hydrogen chloride (1/1)
Chemical Structure Depiction of
3-(benzenesulfonyl)-5,6,9-trimethyl-2-(methylsulfanyl)-6,7,8,9-tetrahydropyrazolo[1,5-a]pteridine--hydrogen chloride (1/1)
3-(benzenesulfonyl)-5,6,9-trimethyl-2-(methylsulfanyl)-6,7,8,9-tetrahydropyrazolo[1,5-a]pteridine--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | H025-3030C |
| Compound Name: | 3-(benzenesulfonyl)-5,6,9-trimethyl-2-(methylsulfanyl)-6,7,8,9-tetrahydropyrazolo[1,5-a]pteridine--hydrogen chloride (1/1) |
| Molecular Weight: | 439.98 |
| Molecular Formula: | C18 H21 N5 O2 S2 |
| Salt: | HCl |
| Smiles: | CC1C2=C(N(C)CCN2C)n2c(c(c(n2)SC)S(c2ccccc2)(=O)=O)N=1 |
| Stereo: | ACHIRAL |
| logP: | 2.4222 |
| logD: | 2.4097 |
| logSw: | -2.4941 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 55.715 |
| InChI Key: | CNMWXZSBDUZQGZ-UHFFFAOYSA-N |