N-butyl-7-chloro-3-(4-ethylbenzene-1-sulfonyl)[1,2,3]triazolo[1,5-a]quinazolin-5-amine
Chemical Structure Depiction of
N-butyl-7-chloro-3-(4-ethylbenzene-1-sulfonyl)[1,2,3]triazolo[1,5-a]quinazolin-5-amine
N-butyl-7-chloro-3-(4-ethylbenzene-1-sulfonyl)[1,2,3]triazolo[1,5-a]quinazolin-5-amine
Compound characteristics
| Compound ID: | C718-1417 |
| Compound Name: | N-butyl-7-chloro-3-(4-ethylbenzene-1-sulfonyl)[1,2,3]triazolo[1,5-a]quinazolin-5-amine |
| Molecular Weight: | 443.95 |
| Molecular Formula: | C21 H22 Cl N5 O2 S |
| Smiles: | CCCCNc1c2cc(ccc2n2c(c(nn2)S(c2ccc(CC)cc2)(=O)=O)n1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 6.0391 |
| logD: | 6.0391 |
| logSw: | -6.1075 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.73 |
| InChI Key: | PHRAPLATIUYIPU-UHFFFAOYSA-N |