8-chloro-5-[4-(ethanesulfonyl)piperazin-1-yl]-3-phenyl[1,2,4]triazolo[4,3-c]quinazoline
Chemical Structure Depiction of
8-chloro-5-[4-(ethanesulfonyl)piperazin-1-yl]-3-phenyl[1,2,4]triazolo[4,3-c]quinazoline
8-chloro-5-[4-(ethanesulfonyl)piperazin-1-yl]-3-phenyl[1,2,4]triazolo[4,3-c]quinazoline
Compound characteristics
| Compound ID: | V017-2231 |
| Compound Name: | 8-chloro-5-[4-(ethanesulfonyl)piperazin-1-yl]-3-phenyl[1,2,4]triazolo[4,3-c]quinazoline |
| Molecular Weight: | 456.95 |
| Molecular Formula: | C21 H21 Cl N6 O2 S |
| Salt: | not_available |
| Smiles: | CCS(N1CCN(CC1)c1nc2cc(ccc2c2nnc(c3ccccc3)n12)[Cl])(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0145 |
| logD: | 3.9494 |
| logSw: | -4.4585 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 64.678 |
| InChI Key: | PIGRJJJOCDUOEA-UHFFFAOYSA-N |