8-chloro-3-(thiophen-2-yl)-5-{4-[(thiophen-3-yl)methyl]-1,4-diazepan-1-yl}[1,2,4]triazolo[4,3-c]quinazoline
Chemical Structure Depiction of
8-chloro-3-(thiophen-2-yl)-5-{4-[(thiophen-3-yl)methyl]-1,4-diazepan-1-yl}[1,2,4]triazolo[4,3-c]quinazoline
8-chloro-3-(thiophen-2-yl)-5-{4-[(thiophen-3-yl)methyl]-1,4-diazepan-1-yl}[1,2,4]triazolo[4,3-c]quinazoline
Compound characteristics
| Compound ID: | V027-1932 |
| Compound Name: | 8-chloro-3-(thiophen-2-yl)-5-{4-[(thiophen-3-yl)methyl]-1,4-diazepan-1-yl}[1,2,4]triazolo[4,3-c]quinazoline |
| Molecular Weight: | 481.04 |
| Molecular Formula: | C23 H21 Cl N6 S2 |
| Salt: | not_available |
| Smiles: | C1CN(CCN(C1)c1nc2cc(ccc2c2nnc(c3cccs3)n12)[Cl])Cc1ccsc1 |
| Stereo: | ACHIRAL |
| logP: | 5.4455 |
| logD: | 3.8542 |
| logSw: | -6.1684 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 38.901 |
| InChI Key: | STEKPMYQAFISET-UHFFFAOYSA-N |