N-[2-(5-chloro-1H-indol-2-yl)ethyl]-3-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6(5H)-yl)propanamide
Chemical Structure Depiction of
N-[2-(5-chloro-1H-indol-2-yl)ethyl]-3-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6(5H)-yl)propanamide
N-[2-(5-chloro-1H-indol-2-yl)ethyl]-3-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6(5H)-yl)propanamide
Compound characteristics
| Compound ID: | C798-1007 |
| Compound Name: | N-[2-(5-chloro-1H-indol-2-yl)ethyl]-3-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6(5H)-yl)propanamide |
| Molecular Weight: | 476.98 |
| Molecular Formula: | C25 H21 Cl N4 O2 S |
| Smiles: | C(CN1C(c2cccnc2Sc2ccccc12)=O)C(NCCc1cc2cc(ccc2[nH]1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.0424 |
| logD: | 4.0424 |
| logSw: | -4.3231 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 60.589 |
| InChI Key: | BUQJWQHQMDFLNS-UHFFFAOYSA-N |