N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[1-(2-{[2-(cyclohex-1-en-1-yl)ethyl]amino}-2-oxoethyl)-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl]butanamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[1-(2-{[2-(cyclohex-1-en-1-yl)ethyl]amino}-2-oxoethyl)-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl]butanamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[1-(2-{[2-(cyclohex-1-en-1-yl)ethyl]amino}-2-oxoethyl)-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl]butanamide
Compound characteristics
| Compound ID: | C260-1096 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[1-(2-{[2-(cyclohex-1-en-1-yl)ethyl]amino}-2-oxoethyl)-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl]butanamide |
| Molecular Weight: | 546.62 |
| Molecular Formula: | C30 H34 N4 O6 |
| Smiles: | C1CCC(CCNC(CN2C(N(CCCC(NCc3ccc4c(c3)OCO4)=O)C(c3ccccc23)=O)=O)=O)=CC1 |
| Stereo: | ACHIRAL |
| logP: | 2.3005 |
| logD: | 2.3005 |
| logSw: | -3.1473 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 97.337 |
| InChI Key: | KHXBOMDIXRFMGW-UHFFFAOYSA-N |