8-chloro-5-{4-[(1-methyl-1H-pyrrol-2-yl)methyl]-1,4-diazepan-1-yl}-3-(thiophen-2-yl)[1,2,4]triazolo[4,3-c]quinazoline
Chemical Structure Depiction of
8-chloro-5-{4-[(1-methyl-1H-pyrrol-2-yl)methyl]-1,4-diazepan-1-yl}-3-(thiophen-2-yl)[1,2,4]triazolo[4,3-c]quinazoline
8-chloro-5-{4-[(1-methyl-1H-pyrrol-2-yl)methyl]-1,4-diazepan-1-yl}-3-(thiophen-2-yl)[1,2,4]triazolo[4,3-c]quinazoline
Compound characteristics
| Compound ID: | V027-2015 |
| Compound Name: | 8-chloro-5-{4-[(1-methyl-1H-pyrrol-2-yl)methyl]-1,4-diazepan-1-yl}-3-(thiophen-2-yl)[1,2,4]triazolo[4,3-c]quinazoline |
| Molecular Weight: | 478.02 |
| Molecular Formula: | C24 H24 Cl N7 S |
| Salt: | not_available |
| Smiles: | Cn1cccc1CN1CCCN(CC1)c1nc2cc(ccc2c2nnc(c3cccs3)n12)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.1287 |
| logD: | 4.7884 |
| logSw: | -5.6467 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 40.781 |
| InChI Key: | GDKDHUWIZZBDQL-UHFFFAOYSA-N |