1-[4-(3-methoxyphenyl)piperazin-1-yl]-2-{2-[(2-sulfanylidene-1,2-dihydroquinazolin-4-yl)amino]-1,3-thiazol-4-yl}ethan-1-one
Chemical Structure Depiction of
1-[4-(3-methoxyphenyl)piperazin-1-yl]-2-{2-[(2-sulfanylidene-1,2-dihydroquinazolin-4-yl)amino]-1,3-thiazol-4-yl}ethan-1-one
1-[4-(3-methoxyphenyl)piperazin-1-yl]-2-{2-[(2-sulfanylidene-1,2-dihydroquinazolin-4-yl)amino]-1,3-thiazol-4-yl}ethan-1-one
Compound characteristics
| Compound ID: | K297-1136 |
| Compound Name: | 1-[4-(3-methoxyphenyl)piperazin-1-yl]-2-{2-[(2-sulfanylidene-1,2-dihydroquinazolin-4-yl)amino]-1,3-thiazol-4-yl}ethan-1-one |
| Molecular Weight: | 492.62 |
| Molecular Formula: | C24 H24 N6 O2 S2 |
| Smiles: | COc1cccc(c1)N1CCN(CC1)C(Cc1csc(NC2c3ccccc3NC(N=2)=S)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0199 |
| logD: | 1.3652 |
| logSw: | -4.2333 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.206 |
| InChI Key: | YELQEVHOFILQCH-UHFFFAOYSA-N |