methyl 3-{2-[4-(5-bromothiophen-2-yl)-2-oxo-2,3-dihydro-1H-1,5-benzodiazepin-1-yl]acetamido}thiophene-2-carboxylate
Chemical Structure Depiction of
methyl 3-{2-[4-(5-bromothiophen-2-yl)-2-oxo-2,3-dihydro-1H-1,5-benzodiazepin-1-yl]acetamido}thiophene-2-carboxylate
methyl 3-{2-[4-(5-bromothiophen-2-yl)-2-oxo-2,3-dihydro-1H-1,5-benzodiazepin-1-yl]acetamido}thiophene-2-carboxylate
Compound characteristics
| Compound ID: | F402-0230 |
| Compound Name: | methyl 3-{2-[4-(5-bromothiophen-2-yl)-2-oxo-2,3-dihydro-1H-1,5-benzodiazepin-1-yl]acetamido}thiophene-2-carboxylate |
| Molecular Weight: | 518.41 |
| Molecular Formula: | C21 H16 Br N3 O4 S2 |
| Smiles: | COC(c1c(ccs1)NC(CN1C(CC(c2ccc(s2)[Br])=Nc2ccccc12)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1796 |
| logD: | 4.1249 |
| logSw: | -4.2557 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.252 |
| InChI Key: | YRIHPJOXRULPLQ-UHFFFAOYSA-N |