N-{6-[4-(benzenesulfonyl)-1,4-diazepan-1-yl]pyridin-3-yl}-3-methylbut-2-enamide
Chemical Structure Depiction of
N-{6-[4-(benzenesulfonyl)-1,4-diazepan-1-yl]pyridin-3-yl}-3-methylbut-2-enamide
N-{6-[4-(benzenesulfonyl)-1,4-diazepan-1-yl]pyridin-3-yl}-3-methylbut-2-enamide
Compound characteristics
| Compound ID: | V012-3258 |
| Compound Name: | N-{6-[4-(benzenesulfonyl)-1,4-diazepan-1-yl]pyridin-3-yl}-3-methylbut-2-enamide |
| Molecular Weight: | 414.53 |
| Molecular Formula: | C21 H26 N4 O3 S |
| Salt: | not_available |
| Smiles: | CC(C)=CC(Nc1ccc(nc1)N1CCCN(CC1)S(c1ccccc1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.616 |
| logD: | 3.6141 |
| logSw: | -3.6018 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.291 |
| InChI Key: | BNSGVJHGBFNGTI-UHFFFAOYSA-N |