N-(4-bromophenyl)-4-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6(5H)-yl)butanamide
Chemical Structure Depiction of
N-(4-bromophenyl)-4-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6(5H)-yl)butanamide
N-(4-bromophenyl)-4-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6(5H)-yl)butanamide
Compound characteristics
| Compound ID: | C798-1128 |
| Compound Name: | N-(4-bromophenyl)-4-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6(5H)-yl)butanamide |
| Molecular Weight: | 468.37 |
| Molecular Formula: | C22 H18 Br N3 O2 S |
| Smiles: | C(CC(Nc1ccc(cc1)[Br])=O)CN1C(c2cccnc2Sc2ccccc12)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3429 |
| logD: | 4.3427 |
| logSw: | -4.3079 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.581 |
| InChI Key: | FYSFJIAXBPHFQC-UHFFFAOYSA-N |