N-[4-(diethylamino)-2-methylphenyl]-4-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6(5H)-yl)butanamide
Chemical Structure Depiction of
N-[4-(diethylamino)-2-methylphenyl]-4-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6(5H)-yl)butanamide
N-[4-(diethylamino)-2-methylphenyl]-4-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6(5H)-yl)butanamide
Compound characteristics
| Compound ID: | G290-1186 |
| Compound Name: | N-[4-(diethylamino)-2-methylphenyl]-4-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6(5H)-yl)butanamide |
| Molecular Weight: | 474.62 |
| Molecular Formula: | C27 H30 N4 O2 S |
| Smiles: | CCN(CC)c1ccc(c(C)c1)NC(CCCN1C(c2cccnc2Sc2ccccc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2862 |
| logD: | 4.0769 |
| logSw: | -4.1402 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.619 |
| InChI Key: | NBGLOUWGFPVWPL-UHFFFAOYSA-N |