(4-oxo-3,4-dihydroquinazolin-2-yl)methyl N-(prop-2-en-1-yl)carbamimidothioate--hydrogen chloride (1/1)
Chemical Structure Depiction of
(4-oxo-3,4-dihydroquinazolin-2-yl)methyl N-(prop-2-en-1-yl)carbamimidothioate--hydrogen chloride (1/1)
(4-oxo-3,4-dihydroquinazolin-2-yl)methyl N-(prop-2-en-1-yl)carbamimidothioate--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | 5742-0594 |
| Compound Name: | (4-oxo-3,4-dihydroquinazolin-2-yl)methyl N-(prop-2-en-1-yl)carbamimidothioate--hydrogen chloride (1/1) |
| Molecular Weight: | 310.8 |
| Molecular Formula: | C13 H14 N4 O S |
| Salt: | HCl |
| Smiles: | C=CCNC(=N)SCC1NC(c2ccccc2N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 0.9266 |
| logD: | 0.1881 |
| logSw: | -2.3963 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 64.798 |
| InChI Key: | DDQJKXKSXMYPGK-UHFFFAOYSA-N |