N-benzyl-2-[(7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-benzyl-2-[(7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]acetamide
N-benzyl-2-[(7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | M060-0316 |
| Compound Name: | N-benzyl-2-[(7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]acetamide |
| Molecular Weight: | 408.48 |
| Molecular Formula: | C21 H20 N4 O3 S |
| Smiles: | COc1cc2c3c(c(ncn3)SCC(NCc3ccccc3)=O)[nH]c2cc1OC |
| Stereo: | ACHIRAL |
| logP: | 2.6688 |
| logD: | 2.6677 |
| logSw: | -2.9853 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.232 |
| InChI Key: | ACVOTGYHIIYAKH-UHFFFAOYSA-N |