2-{[4-(8-chloro-3-cyclohexyl[1,2,4]triazolo[4,3-c]quinazolin-5-yl)-1,4-diazepan-1-yl]methyl}phenol
Chemical Structure Depiction of
2-{[4-(8-chloro-3-cyclohexyl[1,2,4]triazolo[4,3-c]quinazolin-5-yl)-1,4-diazepan-1-yl]methyl}phenol
2-{[4-(8-chloro-3-cyclohexyl[1,2,4]triazolo[4,3-c]quinazolin-5-yl)-1,4-diazepan-1-yl]methyl}phenol
Compound characteristics
| Compound ID: | V029-2933 |
| Compound Name: | 2-{[4-(8-chloro-3-cyclohexyl[1,2,4]triazolo[4,3-c]quinazolin-5-yl)-1,4-diazepan-1-yl]methyl}phenol |
| Molecular Weight: | 491.04 |
| Molecular Formula: | C27 H31 Cl N6 O |
| Salt: | not_available |
| Smiles: | C1CCC(CC1)c1nnc2c3ccc(cc3nc(N3CCCN(CC3)Cc3ccccc3O)n12)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.9369 |
| logD: | 5.4004 |
| logSw: | -6.0188 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.605 |
| InChI Key: | WJBZBOYOFWZZOK-UHFFFAOYSA-N |