3'-(ethylsulfanyl)-7'H-spiro[cyclopentane-1,6'-[1,2,4]triazino[5,6-d][3,1]benzoxazepine]
Chemical Structure Depiction of
3'-(ethylsulfanyl)-7'H-spiro[cyclopentane-1,6'-[1,2,4]triazino[5,6-d][3,1]benzoxazepine]
3'-(ethylsulfanyl)-7'H-spiro[cyclopentane-1,6'-[1,2,4]triazino[5,6-d][3,1]benzoxazepine]
Compound characteristics
Compound ID: | 6753-0722 |
Compound Name: | 3'-(ethylsulfanyl)-7'H-spiro[cyclopentane-1,6'-[1,2,4]triazino[5,6-d][3,1]benzoxazepine] |
Molecular Weight: | 314.41 |
Molecular Formula: | C16 H18 N4 O S |
Smiles: | CCSc1nc2c(c3ccccc3NC3(CCCC3)O2)nn1 |
Stereo: | ACHIRAL |
logP: | 3.4791 |
logD: | 3.4791 |
logSw: | -3.8391 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 51.77 |
InChI Key: | ZVYHASNVVOEEEY-UHFFFAOYSA-N |