methyl 2-{2-[(3R)-2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl]acetamido}-5-(2-methylpropyl)-1,3-thiazole-4-carboxylate
Chemical Structure Depiction of
methyl 2-{2-[(3R)-2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl]acetamido}-5-(2-methylpropyl)-1,3-thiazole-4-carboxylate
methyl 2-{2-[(3R)-2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl]acetamido}-5-(2-methylpropyl)-1,3-thiazole-4-carboxylate
Compound characteristics
| Compound ID: | J100-0207 |
| Compound Name: | methyl 2-{2-[(3R)-2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl]acetamido}-5-(2-methylpropyl)-1,3-thiazole-4-carboxylate |
| Molecular Weight: | 430.48 |
| Molecular Formula: | C20 H22 N4 O5 S |
| Smiles: | CC(C)Cc1c(C(=O)OC)nc(NC(C[C@@H]2C(Nc3ccccc3C(N2)=O)=O)=O)s1 |
| Stereo: | ABSOLUTE |
| logP: | 2.9295 |
| logD: | 2.7827 |
| logSw: | -3.6685 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 106.091 |
| InChI Key: | NTCAUWYCZGOJQK-CYBMUJFWSA-N |