3-(3,4-dimethylbenzene-1-sulfonyl)-N-(3-methylbutyl)[1,2,3]triazolo[1,5-a]quinazolin-5-amine
Chemical Structure Depiction of
3-(3,4-dimethylbenzene-1-sulfonyl)-N-(3-methylbutyl)[1,2,3]triazolo[1,5-a]quinazolin-5-amine
3-(3,4-dimethylbenzene-1-sulfonyl)-N-(3-methylbutyl)[1,2,3]triazolo[1,5-a]quinazolin-5-amine
Compound characteristics
| Compound ID: | C718-0163 |
| Compound Name: | 3-(3,4-dimethylbenzene-1-sulfonyl)-N-(3-methylbutyl)[1,2,3]triazolo[1,5-a]quinazolin-5-amine |
| Molecular Weight: | 423.54 |
| Molecular Formula: | C22 H25 N5 O2 S |
| Smiles: | CC(C)CCNc1c2ccccc2n2c(c(nn2)S(c2ccc(C)c(C)c2)(=O)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 5.5053 |
| logD: | 5.5053 |
| logSw: | -5.7471 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.73 |
| InChI Key: | ATVHDNLCVBQQRV-UHFFFAOYSA-N |