methyl 4-{2-[(8-methyl-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]acetamido}benzoate
Chemical Structure Depiction of
methyl 4-{2-[(8-methyl-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]acetamido}benzoate
methyl 4-{2-[(8-methyl-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]acetamido}benzoate
Compound characteristics
| Compound ID: | M060-0196 |
| Compound Name: | methyl 4-{2-[(8-methyl-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]acetamido}benzoate |
| Molecular Weight: | 406.46 |
| Molecular Formula: | C21 H18 N4 O3 S |
| Smiles: | Cc1ccc2c(c1)c1c(c(ncn1)SCC(Nc1ccc(cc1)C(=O)OC)=O)[nH]2 |
| Stereo: | ACHIRAL |
| logP: | 3.9385 |
| logD: | 3.9366 |
| logSw: | -4.0908 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.823 |
| InChI Key: | YJCZFPBTMBZFRH-UHFFFAOYSA-N |