methyl 2-{2-[(7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]acetamido}benzoate
Chemical Structure Depiction of
methyl 2-{2-[(7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]acetamido}benzoate
methyl 2-{2-[(7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]acetamido}benzoate
Compound characteristics
| Compound ID: | M060-0397 |
| Compound Name: | methyl 2-{2-[(7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]acetamido}benzoate |
| Molecular Weight: | 452.49 |
| Molecular Formula: | C22 H20 N4 O5 S |
| Smiles: | COC(c1ccccc1NC(CSc1c2c(c3cc(c(cc3[nH]2)OC)OC)ncn1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7121 |
| logD: | 2.6955 |
| logSw: | -3.3251 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 89.386 |
| InChI Key: | NWKFOQMAFNYFNA-UHFFFAOYSA-N |