N-(2-benzyl-2,3-dihydro-1H-isoindol-5-yl)-2-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6(5H)-yl)acetamide
Chemical Structure Depiction of
N-(2-benzyl-2,3-dihydro-1H-isoindol-5-yl)-2-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6(5H)-yl)acetamide
N-(2-benzyl-2,3-dihydro-1H-isoindol-5-yl)-2-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6(5H)-yl)acetamide
Compound characteristics
| Compound ID: | C798-1090 |
| Compound Name: | N-(2-benzyl-2,3-dihydro-1H-isoindol-5-yl)-2-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6(5H)-yl)acetamide |
| Molecular Weight: | 492.6 |
| Molecular Formula: | C29 H24 N4 O2 S |
| Smiles: | C(c1ccccc1)N1Cc2ccc(cc2C1)NC(CN1C(c2cccnc2Sc2ccccc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8436 |
| logD: | 0.122 |
| logSw: | -4.7534 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.296 |
| InChI Key: | UVMSMGNRCPFEES-UHFFFAOYSA-N |