N-({1-[(2-fluorophenyl)methyl]piperidin-4-yl}methyl)-4-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6(5H)-yl)butanamide
Chemical Structure Depiction of
N-({1-[(2-fluorophenyl)methyl]piperidin-4-yl}methyl)-4-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6(5H)-yl)butanamide
N-({1-[(2-fluorophenyl)methyl]piperidin-4-yl}methyl)-4-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6(5H)-yl)butanamide
Compound characteristics
| Compound ID: | C798-1110 |
| Compound Name: | N-({1-[(2-fluorophenyl)methyl]piperidin-4-yl}methyl)-4-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6(5H)-yl)butanamide |
| Molecular Weight: | 518.65 |
| Molecular Formula: | C29 H31 F N4 O2 S |
| Smiles: | C(CC(NCC1CCN(CC1)Cc1ccccc1F)=O)CN1C(c2cccnc2Sc2ccccc12)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0314 |
| logD: | 2.2421 |
| logSw: | -4.3086 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.636 |
| InChI Key: | YXZXGZUIGAEWEU-UHFFFAOYSA-N |