N-[2-(cyclohex-1-en-1-yl)ethyl]-2-({4-oxo-3-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-3,4-dihydroquinazolin-2-yl}sulfanyl)acetamide
Chemical Structure Depiction of
N-[2-(cyclohex-1-en-1-yl)ethyl]-2-({4-oxo-3-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-3,4-dihydroquinazolin-2-yl}sulfanyl)acetamide
N-[2-(cyclohex-1-en-1-yl)ethyl]-2-({4-oxo-3-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-3,4-dihydroquinazolin-2-yl}sulfanyl)acetamide
Compound characteristics
| Compound ID: | K284-3101 |
| Compound Name: | N-[2-(cyclohex-1-en-1-yl)ethyl]-2-({4-oxo-3-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-3,4-dihydroquinazolin-2-yl}sulfanyl)acetamide |
| Molecular Weight: | 559.73 |
| Molecular Formula: | C31 H37 N5 O3 S |
| Smiles: | C1CCC(CCNC(CSC2=Nc3ccccc3C(N2CCC(N2CCN(CC2)c2ccccc2)=O)=O)=O)=CC1 |
| Stereo: | ACHIRAL |
| logP: | 3.216 |
| logD: | 3.2159 |
| logSw: | -3.7134 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.907 |
| InChI Key: | YAPMTCYCUZISEG-UHFFFAOYSA-N |