methyl 4-{2-[4-(5-bromothiophen-2-yl)-2-oxo-2,3-dihydro-1H-1,5-benzodiazepin-1-yl]acetamido}benzoate
Chemical Structure Depiction of
methyl 4-{2-[4-(5-bromothiophen-2-yl)-2-oxo-2,3-dihydro-1H-1,5-benzodiazepin-1-yl]acetamido}benzoate
methyl 4-{2-[4-(5-bromothiophen-2-yl)-2-oxo-2,3-dihydro-1H-1,5-benzodiazepin-1-yl]acetamido}benzoate
Compound characteristics
| Compound ID: | F402-0179 |
| Compound Name: | methyl 4-{2-[4-(5-bromothiophen-2-yl)-2-oxo-2,3-dihydro-1H-1,5-benzodiazepin-1-yl]acetamido}benzoate |
| Molecular Weight: | 512.38 |
| Molecular Formula: | C23 H18 Br N3 O4 S |
| Smiles: | COC(c1ccc(cc1)NC(CN1C(CC(c2ccc(s2)[Br])=Nc2ccccc12)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8519 |
| logD: | 4.8517 |
| logSw: | -4.5443 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.932 |
| InChI Key: | IDSVEPZKXGWRMF-UHFFFAOYSA-N |