N-(3-acetylphenyl)-2-[(7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(3-acetylphenyl)-2-[(7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]acetamide
N-(3-acetylphenyl)-2-[(7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | M060-0359 |
| Compound Name: | N-(3-acetylphenyl)-2-[(7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]acetamide |
| Molecular Weight: | 436.49 |
| Molecular Formula: | C22 H20 N4 O4 S |
| Smiles: | CC(c1cccc(c1)NC(CSc1c2c(c3cc(c(cc3[nH]2)OC)OC)ncn1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7284 |
| logD: | 2.7272 |
| logSw: | -3.1646 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.737 |
| InChI Key: | VMLQIJOOFNRIHQ-UHFFFAOYSA-N |