N-[2-(cyclohex-1-en-1-yl)ethyl]-4-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6(5H)-yl)butanamide
Chemical Structure Depiction of
N-[2-(cyclohex-1-en-1-yl)ethyl]-4-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6(5H)-yl)butanamide
N-[2-(cyclohex-1-en-1-yl)ethyl]-4-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6(5H)-yl)butanamide
Compound characteristics
| Compound ID: | G290-1171 |
| Compound Name: | N-[2-(cyclohex-1-en-1-yl)ethyl]-4-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6(5H)-yl)butanamide |
| Molecular Weight: | 421.56 |
| Molecular Formula: | C24 H27 N3 O2 S |
| Smiles: | C1CCC(CCNC(CCCN2C(c3cccnc3Sc3ccccc23)=O)=O)=CC1 |
| Stereo: | ACHIRAL |
| logP: | 3.3545 |
| logD: | 3.3545 |
| logSw: | -3.822 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.937 |
| InChI Key: | AGEUDWUPCJFXIY-UHFFFAOYSA-N |