N-[4-(diethylamino)-2-methylphenyl]-4-oxo-4-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)-1,4-diazepan-1-yl]butanamide
Chemical Structure Depiction of
N-[4-(diethylamino)-2-methylphenyl]-4-oxo-4-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)-1,4-diazepan-1-yl]butanamide
N-[4-(diethylamino)-2-methylphenyl]-4-oxo-4-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)-1,4-diazepan-1-yl]butanamide
Compound characteristics
| Compound ID: | L461-0469 |
| Compound Name: | N-[4-(diethylamino)-2-methylphenyl]-4-oxo-4-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)-1,4-diazepan-1-yl]butanamide |
| Molecular Weight: | 494.66 |
| Molecular Formula: | C26 H34 N6 O2 S |
| Smiles: | CCN(CC)c1ccc(c(C)c1)NC(CCC(N1CCCN(CC1)c1nc2cccnc2s1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2432 |
| logD: | 3.0339 |
| logSw: | -3.2688 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.079 |
| InChI Key: | DBMGSGMQLLNBLI-UHFFFAOYSA-N |