4-chloro-2-[3-(methylsulfanyl)-7-propanoyl-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]phenyl propanoate
Chemical Structure Depiction of
4-chloro-2-[3-(methylsulfanyl)-7-propanoyl-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]phenyl propanoate
4-chloro-2-[3-(methylsulfanyl)-7-propanoyl-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]phenyl propanoate
Compound characteristics
| Compound ID: | 4896-4946 |
| Compound Name: | 4-chloro-2-[3-(methylsulfanyl)-7-propanoyl-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]phenyl propanoate |
| Molecular Weight: | 484.96 |
| Molecular Formula: | C23 H21 Cl N4 O4 S |
| Smiles: | CCC(N1C(c2cc(ccc2OC(CC)=O)[Cl])Oc2c(c3ccccc13)nnc(n2)SC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4398 |
| logD: | 4.4398 |
| logSw: | -4.6865 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 73.785 |
| InChI Key: | AGUDNUFHSNLDRP-QFIPXVFZSA-N |