N-(3,4-dimethoxyphenyl)-2-[(7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(3,4-dimethoxyphenyl)-2-[(7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]acetamide
N-(3,4-dimethoxyphenyl)-2-[(7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | M060-0356 |
| Compound Name: | N-(3,4-dimethoxyphenyl)-2-[(7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]acetamide |
| Molecular Weight: | 454.5 |
| Molecular Formula: | C22 H22 N4 O5 S |
| Smiles: | COc1ccc(cc1OC)NC(CSc1c2c(c3cc(c(cc3[nH]2)OC)OC)ncn1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5224 |
| logD: | 2.5213 |
| logSw: | -2.9625 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 84.171 |
| InChI Key: | DLMIBQMWZVYWHD-UHFFFAOYSA-N |