2-{[5-(4-methylphenyl)[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl}-N-(prop-2-en-1-yl)acetamide
Chemical Structure Depiction of
2-{[5-(4-methylphenyl)[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl}-N-(prop-2-en-1-yl)acetamide
2-{[5-(4-methylphenyl)[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl}-N-(prop-2-en-1-yl)acetamide
Compound characteristics
| Compound ID: | J084-0831 |
| Compound Name: | 2-{[5-(4-methylphenyl)[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl}-N-(prop-2-en-1-yl)acetamide |
| Molecular Weight: | 389.48 |
| Molecular Formula: | C21 H19 N5 O S |
| Smiles: | Cc1ccc(cc1)c1nc2ccccc2c2nnc(n12)SCC(NCC=C)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6995 |
| logD: | 3.6702 |
| logSw: | -3.8985 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.895 |
| InChI Key: | BXZNYEXBBGYKPN-UHFFFAOYSA-N |