N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(2-{[2-(cyclohex-1-en-1-yl)ethyl]amino}-2-oxoethyl)-2,4-dioxo-3-phenyl-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(2-{[2-(cyclohex-1-en-1-yl)ethyl]amino}-2-oxoethyl)-2,4-dioxo-3-phenyl-1,2,3,4-tetrahydroquinazoline-7-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(2-{[2-(cyclohex-1-en-1-yl)ethyl]amino}-2-oxoethyl)-2,4-dioxo-3-phenyl-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | C487-0087 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(2-{[2-(cyclohex-1-en-1-yl)ethyl]amino}-2-oxoethyl)-2,4-dioxo-3-phenyl-1,2,3,4-tetrahydroquinazoline-7-carboxamide |
| Molecular Weight: | 580.64 |
| Molecular Formula: | C33 H32 N4 O6 |
| Smiles: | C1CCC(CCNC(CN2C(N(C(c3ccc(cc23)C(NCc2ccc3c(c2)OCO3)=O)=O)c2ccccc2)=O)=O)=CC1 |
| Stereo: | ACHIRAL |
| logP: | 3.3575 |
| logD: | 3.3575 |
| logSw: | -3.7612 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 96.689 |
| InChI Key: | XYWNFJUQLKIIRU-UHFFFAOYSA-N |