methyl 3-(2-{[4-(3-methoxyphenyl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamido)thiophene-2-carboxylate
Chemical Structure Depiction of
methyl 3-(2-{[4-(3-methoxyphenyl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamido)thiophene-2-carboxylate
methyl 3-(2-{[4-(3-methoxyphenyl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamido)thiophene-2-carboxylate
Compound characteristics
| Compound ID: | C200-6660 |
| Compound Name: | methyl 3-(2-{[4-(3-methoxyphenyl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamido)thiophene-2-carboxylate |
| Molecular Weight: | 479.58 |
| Molecular Formula: | C24 H21 N3 O4 S2 |
| Smiles: | COC(c1c(ccs1)NC(CSC1CC(c2cccc(c2)OC)=Nc2ccccc2N=1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1294 |
| logD: | 4.0915 |
| logSw: | -4.3297 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.377 |
| InChI Key: | ZEYSZPBMGUDRDO-UHFFFAOYSA-N |