4-[3-(butylsulfanyl)-10-methyl-7-propanoyl-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]benzonitrile
Chemical Structure Depiction of
4-[3-(butylsulfanyl)-10-methyl-7-propanoyl-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]benzonitrile
4-[3-(butylsulfanyl)-10-methyl-7-propanoyl-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]benzonitrile
Compound characteristics
| Compound ID: | F579-0880 |
| Compound Name: | 4-[3-(butylsulfanyl)-10-methyl-7-propanoyl-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]benzonitrile |
| Molecular Weight: | 459.57 |
| Molecular Formula: | C25 H25 N5 O2 S |
| Smiles: | CCCCSc1nc2c(c3cc(C)ccc3N(C(c3ccc(C#N)cc3)O2)C(CC)=O)nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.3083 |
| logD: | 5.3083 |
| logSw: | -5.2513 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 70.7 |
| InChI Key: | CQGXEJYTGSNGRP-DEOSSOPVSA-N |