N-(2-acetamidoethyl)-4-[(4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)methyl]cyclohexane-1-carboxamide
Chemical Structure Depiction of
N-(2-acetamidoethyl)-4-[(4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)methyl]cyclohexane-1-carboxamide
N-(2-acetamidoethyl)-4-[(4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)methyl]cyclohexane-1-carboxamide
Compound characteristics
| Compound ID: | K284-7574 |
| Compound Name: | N-(2-acetamidoethyl)-4-[(4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)methyl]cyclohexane-1-carboxamide |
| Molecular Weight: | 402.51 |
| Molecular Formula: | C20 H26 N4 O3 S |
| Smiles: | CC(NCCNC(C1CCC(CC1)CN1C(c2ccccc2NC1=S)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6259 |
| logD: | 1.6248 |
| logSw: | -2.5155 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 76.462 |
| InChI Key: | DVPNPHISMAZXAN-UHFFFAOYSA-N |