N-(propan-2-yl)-3-(2,4,6-trimethylbenzene-1-sulfonyl)[1,2,3]triazolo[1,5-a]quinazolin-5-amine
Chemical Structure Depiction of
N-(propan-2-yl)-3-(2,4,6-trimethylbenzene-1-sulfonyl)[1,2,3]triazolo[1,5-a]quinazolin-5-amine
N-(propan-2-yl)-3-(2,4,6-trimethylbenzene-1-sulfonyl)[1,2,3]triazolo[1,5-a]quinazolin-5-amine
Compound characteristics
| Compound ID: | C718-0468 |
| Compound Name: | N-(propan-2-yl)-3-(2,4,6-trimethylbenzene-1-sulfonyl)[1,2,3]triazolo[1,5-a]quinazolin-5-amine |
| Molecular Weight: | 409.51 |
| Molecular Formula: | C21 H23 N5 O2 S |
| Smiles: | CC(C)Nc1c2ccccc2n2c(c(nn2)S(c2c(C)cc(C)cc2C)(=O)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 4.7247 |
| logD: | 4.7247 |
| logSw: | -4.7288 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.863 |
| InChI Key: | VRSGIYXCEGLDKP-UHFFFAOYSA-N |