methyl 2-{[1-(cyclopropylmethyl)-3-(3-methoxyphenyl)-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]methyl}benzoate
Chemical Structure Depiction of
methyl 2-{[1-(cyclopropylmethyl)-3-(3-methoxyphenyl)-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]methyl}benzoate
methyl 2-{[1-(cyclopropylmethyl)-3-(3-methoxyphenyl)-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]methyl}benzoate
Compound characteristics
| Compound ID: | V021-1781 |
| Compound Name: | methyl 2-{[1-(cyclopropylmethyl)-3-(3-methoxyphenyl)-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]methyl}benzoate |
| Molecular Weight: | 460.49 |
| Molecular Formula: | C25 H24 N4 O5 |
| Salt: | not_available |
| Smiles: | COC(c1ccccc1Cn1cnc2c1C(N(CC1CC1)C(N2c1cccc(c1)OC)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4249 |
| logD: | 3.4249 |
| logSw: | -3.7101 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 71.515 |
| InChI Key: | XOQRTEBTYWQZED-UHFFFAOYSA-N |