methyl 2-{[3-(3-chlorophenyl)-1-(cyclopropylmethyl)-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]methyl}benzoate
Chemical Structure Depiction of
methyl 2-{[3-(3-chlorophenyl)-1-(cyclopropylmethyl)-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]methyl}benzoate
methyl 2-{[3-(3-chlorophenyl)-1-(cyclopropylmethyl)-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]methyl}benzoate
Compound characteristics
| Compound ID: | V029-1946 |
| Compound Name: | methyl 2-{[3-(3-chlorophenyl)-1-(cyclopropylmethyl)-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]methyl}benzoate |
| Molecular Weight: | 464.91 |
| Molecular Formula: | C24 H21 Cl N4 O4 |
| Salt: | not_available |
| Smiles: | COC(c1ccccc1Cn1cnc2c1C(N(CC1CC1)C(N2c1cccc(c1)[Cl])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9006 |
| logD: | 3.9006 |
| logSw: | -4.1904 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 63.972 |
| InChI Key: | JGCZAYJCHWPLPZ-UHFFFAOYSA-N |