5-[4-(ethanesulfonyl)-1,4-diazepan-1-yl]-3-(thiophen-2-yl)[1,2,4]triazolo[4,3-c]quinazoline
Chemical Structure Depiction of
5-[4-(ethanesulfonyl)-1,4-diazepan-1-yl]-3-(thiophen-2-yl)[1,2,4]triazolo[4,3-c]quinazoline
5-[4-(ethanesulfonyl)-1,4-diazepan-1-yl]-3-(thiophen-2-yl)[1,2,4]triazolo[4,3-c]quinazoline
Compound characteristics
| Compound ID: | V021-8172 |
| Compound Name: | 5-[4-(ethanesulfonyl)-1,4-diazepan-1-yl]-3-(thiophen-2-yl)[1,2,4]triazolo[4,3-c]quinazoline |
| Molecular Weight: | 442.56 |
| Molecular Formula: | C20 H22 N6 O2 S2 |
| Salt: | not_available |
| Smiles: | CCS(N1CCCN(CC1)c1nc2ccccc2c2nnc(c3cccs3)n12)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1595 |
| logD: | 3.1209 |
| logSw: | -3.1631 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 66.027 |
| InChI Key: | DCFVDOWRSGBRKE-UHFFFAOYSA-N |