N-{4-[4-(3-methyl-1-phenyl-6-propyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepane-1-sulfonyl]phenyl}acetamide
Chemical Structure Depiction of
N-{4-[4-(3-methyl-1-phenyl-6-propyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepane-1-sulfonyl]phenyl}acetamide
N-{4-[4-(3-methyl-1-phenyl-6-propyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepane-1-sulfonyl]phenyl}acetamide
Compound characteristics
| Compound ID: | V004-5781 |
| Compound Name: | N-{4-[4-(3-methyl-1-phenyl-6-propyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepane-1-sulfonyl]phenyl}acetamide |
| Molecular Weight: | 547.68 |
| Molecular Formula: | C28 H33 N7 O3 S |
| Salt: | not_available |
| Smiles: | CCCc1nc(c2c(C)nn(c3ccccc3)c2n1)N1CCCN(CC1)S(c1ccc(cc1)NC(C)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2428 |
| logD: | 3.799 |
| logSw: | -4.219 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 93.077 |
| InChI Key: | RNIYHEODSAXSIB-UHFFFAOYSA-N |