2-(8-bromo-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)-N-[(thiophen-2-yl)methyl]acetamide
Chemical Structure Depiction of
2-(8-bromo-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)-N-[(thiophen-2-yl)methyl]acetamide
2-(8-bromo-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)-N-[(thiophen-2-yl)methyl]acetamide
Compound characteristics
| Compound ID: | F796-0372 |
| Compound Name: | 2-(8-bromo-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-3-yl)-N-[(thiophen-2-yl)methyl]acetamide |
| Molecular Weight: | 417.28 |
| Molecular Formula: | C17 H13 Br N4 O2 S |
| Smiles: | C(c1cccs1)NC(CN1C=Nc2c3cc(ccc3[nH]c2C1=O)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 2.4056 |
| logD: | 2.4056 |
| logSw: | -2.9119 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 59.787 |
| InChI Key: | PFVXRPDPSAIFSP-UHFFFAOYSA-N |