N-[3-(butylsulfanyl)propyl]-4-(8-chloro-5-oxopyrido[2,3-b][1,5]benzoxazepin-6(5H)-yl)butanamide
Chemical Structure Depiction of
N-[3-(butylsulfanyl)propyl]-4-(8-chloro-5-oxopyrido[2,3-b][1,5]benzoxazepin-6(5H)-yl)butanamide
N-[3-(butylsulfanyl)propyl]-4-(8-chloro-5-oxopyrido[2,3-b][1,5]benzoxazepin-6(5H)-yl)butanamide
Compound characteristics
| Compound ID: | E645-2618 |
| Compound Name: | N-[3-(butylsulfanyl)propyl]-4-(8-chloro-5-oxopyrido[2,3-b][1,5]benzoxazepin-6(5H)-yl)butanamide |
| Molecular Weight: | 462.01 |
| Molecular Formula: | C23 H28 Cl N3 O3 S |
| Smiles: | CCCCSCCCNC(CCCN1C(c2cccnc2Oc2ccc(cc12)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6236 |
| logD: | 3.6236 |
| logSw: | -4.0318 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.095 |
| InChI Key: | BHZSNGZGNKIECM-UHFFFAOYSA-N |