N-{3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl}-4-{[(2-sulfanylidene-1,2-dihydroquinazolin-4-yl)amino]methyl}cyclohexane-1-carboxamide
Chemical Structure Depiction of
N-{3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl}-4-{[(2-sulfanylidene-1,2-dihydroquinazolin-4-yl)amino]methyl}cyclohexane-1-carboxamide
N-{3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl}-4-{[(2-sulfanylidene-1,2-dihydroquinazolin-4-yl)amino]methyl}cyclohexane-1-carboxamide
Compound characteristics
| Compound ID: | K297-0938 |
| Compound Name: | N-{3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl}-4-{[(2-sulfanylidene-1,2-dihydroquinazolin-4-yl)amino]methyl}cyclohexane-1-carboxamide |
| Molecular Weight: | 548.75 |
| Molecular Formula: | C30 H40 N6 O2 S |
| Smiles: | COc1ccc(cc1)N1CCN(CCCNC(C2CCC(CC2)CNC2c3ccccc3NC(N=2)=S)=O)CC1 |
| Stereo: | ACHIRAL |
| logP: | 4.0228 |
| logD: | 3.4367 |
| logSw: | -4.1925 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 70.296 |
| InChI Key: | AWWUAWNKXYUOAA-UHFFFAOYSA-N |