N-{3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl}-2-{2-[(2-sulfanylidene-1,2-dihydroquinazolin-4-yl)amino]-1,3-thiazol-4-yl}acetamide
Chemical Structure Depiction of
N-{3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl}-2-{2-[(2-sulfanylidene-1,2-dihydroquinazolin-4-yl)amino]-1,3-thiazol-4-yl}acetamide
N-{3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl}-2-{2-[(2-sulfanylidene-1,2-dihydroquinazolin-4-yl)amino]-1,3-thiazol-4-yl}acetamide
Compound characteristics
| Compound ID: | K297-1111 |
| Compound Name: | N-{3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl}-2-{2-[(2-sulfanylidene-1,2-dihydroquinazolin-4-yl)amino]-1,3-thiazol-4-yl}acetamide |
| Molecular Weight: | 549.72 |
| Molecular Formula: | C27 H31 N7 O2 S2 |
| Smiles: | COc1ccc(cc1)N1CCN(CCCNC(Cc2csc(NC3c4ccccc4NC(N=3)=S)n2)=O)CC1 |
| Stereo: | ACHIRAL |
| logP: | 3.5016 |
| logD: | 0.847 |
| logSw: | -3.8814 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 79.109 |
| InChI Key: | SMYSJVZECKPVFM-UHFFFAOYSA-N |