N-({1-[(4-chlorophenyl)methyl]piperidin-4-yl}methyl)-2-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6(5H)-yl)acetamide
Chemical Structure Depiction of
N-({1-[(4-chlorophenyl)methyl]piperidin-4-yl}methyl)-2-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6(5H)-yl)acetamide
N-({1-[(4-chlorophenyl)methyl]piperidin-4-yl}methyl)-2-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6(5H)-yl)acetamide
Compound characteristics
| Compound ID: | C798-1065 |
| Compound Name: | N-({1-[(4-chlorophenyl)methyl]piperidin-4-yl}methyl)-2-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6(5H)-yl)acetamide |
| Molecular Weight: | 507.05 |
| Molecular Formula: | C27 H27 Cl N4 O2 S |
| Smiles: | C1CN(CCC1CNC(CN1C(c2cccnc2Sc2ccccc12)=O)=O)Cc1ccc(cc1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.3858 |
| logD: | 2.7495 |
| logSw: | -4.7259 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.657 |
| InChI Key: | JHNRKOUIFHRXII-UHFFFAOYSA-N |