5-chloro-3'-(methylsulfanyl)-7'H-spiro[indole-3,6'-[1,2,4]triazino[5,6-d][3,1]benzoxazepin]-2(1H)-one

Chemical Structure Depiction of
5-chloro-3'-(methylsulfanyl)-7'H-spiro[indole-3,6'-[1,2,4]triazino[5,6-d][3,1]benzoxazepin]-2(1H)-one
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Compound characteristics

Compound ID: 6753-0273
Compound Name: 5-chloro-3'-(methylsulfanyl)-7'H-spiro[indole-3,6'-[1,2,4]triazino[5,6-d][3,1]benzoxazepin]-2(1H)-one
Molecular Weight: 397.84
Molecular Formula: C18 H12 Cl N5 O2 S
Smiles: CSc1nc2c(c3ccccc3NC3(C(Nc4ccc(cc34)[Cl])=O)O2)nn1
Stereo: RACEMIC MIXTURE
logP: 3.7585
logD: 3.7573
logSw: -4.3191
Hydrogen bond acceptors count: 7
Hydrogen bond donors count: 2
Polar surface area: 78.003
InChI Key: MGSLRGCQQVYLTR-SFHVURJKSA-N
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