N-(3-acetylphenyl)-2-[(8-bromo-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(3-acetylphenyl)-2-[(8-bromo-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]acetamide
N-(3-acetylphenyl)-2-[(8-bromo-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | M060-0503 |
| Compound Name: | N-(3-acetylphenyl)-2-[(8-bromo-5H-pyrimido[5,4-b]indol-4-yl)sulfanyl]acetamide |
| Molecular Weight: | 455.33 |
| Molecular Formula: | C20 H15 Br N4 O2 S |
| Smiles: | CC(c1cccc(c1)NC(CSc1c2c(c3cc(ccc3[nH]2)[Br])ncn1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8546 |
| logD: | 3.8536 |
| logSw: | -4.016 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.476 |
| InChI Key: | ZESWOOMFCUTJIY-UHFFFAOYSA-N |