3'-{[(4-chlorophenyl)methyl]sulfanyl}-7'H-spiro[cyclopentane-1,6'-[1,2,4]triazino[5,6-d][3,1]benzoxazepine]
Chemical Structure Depiction of
3'-{[(4-chlorophenyl)methyl]sulfanyl}-7'H-spiro[cyclopentane-1,6'-[1,2,4]triazino[5,6-d][3,1]benzoxazepine]
3'-{[(4-chlorophenyl)methyl]sulfanyl}-7'H-spiro[cyclopentane-1,6'-[1,2,4]triazino[5,6-d][3,1]benzoxazepine]
Compound characteristics
| Compound ID: | 4896-4589 |
| Compound Name: | 3'-{[(4-chlorophenyl)methyl]sulfanyl}-7'H-spiro[cyclopentane-1,6'-[1,2,4]triazino[5,6-d][3,1]benzoxazepine] |
| Molecular Weight: | 410.92 |
| Molecular Formula: | C21 H19 Cl N4 O S |
| Smiles: | C1CCC2(C1)Nc1ccccc1c1c(nc(nn1)SCc1ccc(cc1)[Cl])O2 |
| Stereo: | ACHIRAL |
| logP: | 4.88 |
| logD: | 4.88 |
| logSw: | -5.0505 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.498 |
| InChI Key: | RTFVVCMXZJOMOV-UHFFFAOYSA-N |