N-(4-bromophenyl)-2-[(7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(4-bromophenyl)-2-[(7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]acetamide
N-(4-bromophenyl)-2-[(7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | M060-0413 |
| Compound Name: | N-(4-bromophenyl)-2-[(7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]acetamide |
| Molecular Weight: | 473.35 |
| Molecular Formula: | C20 H17 Br N4 O3 S |
| Smiles: | COc1cc2c3c(c(ncn3)SCC(Nc3ccc(cc3)[Br])=O)[nH]c2cc1OC |
| Stereo: | ACHIRAL |
| logP: | 3.8214 |
| logD: | 3.8202 |
| logSw: | -4.0811 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.91 |
| InChI Key: | UEJHRJRSYZRINL-UHFFFAOYSA-N |