4-({2-[(2-{[2-(cyclohex-1-en-1-yl)ethyl]amino}-2-oxoethyl)sulfanyl]-4-oxoquinazolin-3(4H)-yl}methyl)-N-[(furan-2-yl)methyl]cyclohexane-1-carboxamide
Chemical Structure Depiction of
4-({2-[(2-{[2-(cyclohex-1-en-1-yl)ethyl]amino}-2-oxoethyl)sulfanyl]-4-oxoquinazolin-3(4H)-yl}methyl)-N-[(furan-2-yl)methyl]cyclohexane-1-carboxamide
4-({2-[(2-{[2-(cyclohex-1-en-1-yl)ethyl]amino}-2-oxoethyl)sulfanyl]-4-oxoquinazolin-3(4H)-yl}methyl)-N-[(furan-2-yl)methyl]cyclohexane-1-carboxamide
Compound characteristics
| Compound ID: | K284-4789 |
| Compound Name: | 4-({2-[(2-{[2-(cyclohex-1-en-1-yl)ethyl]amino}-2-oxoethyl)sulfanyl]-4-oxoquinazolin-3(4H)-yl}methyl)-N-[(furan-2-yl)methyl]cyclohexane-1-carboxamide |
| Molecular Weight: | 562.73 |
| Molecular Formula: | C31 H38 N4 O4 S |
| Smiles: | C1CCC(CCNC(CSC2=Nc3ccccc3C(N2CC2CCC(CC2)C(NCc2ccco2)=O)=O)=O)=CC1 |
| Stereo: | ACHIRAL |
| logP: | 4.4978 |
| logD: | 4.4978 |
| logSw: | -4.4875 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.63 |
| InChI Key: | JHATYSWBCGWUCU-UHFFFAOYSA-N |