N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-[1-(2-{[2-(cyclohex-1-en-1-yl)ethyl]amino}-2-oxoethyl)-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl]propanamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-[1-(2-{[2-(cyclohex-1-en-1-yl)ethyl]amino}-2-oxoethyl)-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl]propanamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-[1-(2-{[2-(cyclohex-1-en-1-yl)ethyl]amino}-2-oxoethyl)-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl]propanamide
Compound characteristics
| Compound ID: | C260-1381 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-[1-(2-{[2-(cyclohex-1-en-1-yl)ethyl]amino}-2-oxoethyl)-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl]propanamide |
| Molecular Weight: | 532.6 |
| Molecular Formula: | C29 H32 N4 O6 |
| Smiles: | C1CCC(CCNC(CN2C(N(CCC(NCc3ccc4c(c3)OCO4)=O)C(c3ccccc23)=O)=O)=O)=CC1 |
| Stereo: | ACHIRAL |
| logP: | 2.5537 |
| logD: | 2.5537 |
| logSw: | -3.2386 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 97.337 |
| InChI Key: | LUNYSJNVHFBBFO-UHFFFAOYSA-N |