N-[(2-chlorophenyl)methyl]-4-{[1-(2-{[2-(cyclohex-1-en-1-yl)ethyl]amino}-2-oxoethyl)-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl]methyl}benzamide
Chemical Structure Depiction of
N-[(2-chlorophenyl)methyl]-4-{[1-(2-{[2-(cyclohex-1-en-1-yl)ethyl]amino}-2-oxoethyl)-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl]methyl}benzamide
N-[(2-chlorophenyl)methyl]-4-{[1-(2-{[2-(cyclohex-1-en-1-yl)ethyl]amino}-2-oxoethyl)-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl]methyl}benzamide
Compound characteristics
| Compound ID: | C260-2789 |
| Compound Name: | N-[(2-chlorophenyl)methyl]-4-{[1-(2-{[2-(cyclohex-1-en-1-yl)ethyl]amino}-2-oxoethyl)-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl]methyl}benzamide |
| Molecular Weight: | 585.1 |
| Molecular Formula: | C33 H33 Cl N4 O4 |
| Smiles: | C1CCC(CCNC(CN2C(N(Cc3ccc(cc3)C(NCc3ccccc3[Cl])=O)C(c3ccccc23)=O)=O)=O)=CC1 |
| Stereo: | ACHIRAL |
| logP: | 4.7219 |
| logD: | 4.7218 |
| logSw: | -4.9429 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.185 |
| InChI Key: | CMPSWIRXNVRNPR-UHFFFAOYSA-N |