methyl 2-{3-[(3R)-2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl]propanamido}-5-propyl-1,3-thiazole-4-carboxylate
Chemical Structure Depiction of
methyl 2-{3-[(3R)-2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl]propanamido}-5-propyl-1,3-thiazole-4-carboxylate
methyl 2-{3-[(3R)-2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl]propanamido}-5-propyl-1,3-thiazole-4-carboxylate
Compound characteristics
| Compound ID: | J101-0207 |
| Compound Name: | methyl 2-{3-[(3R)-2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl]propanamido}-5-propyl-1,3-thiazole-4-carboxylate |
| Molecular Weight: | 430.48 |
| Molecular Formula: | C20 H22 N4 O5 S |
| Smiles: | CCCc1c(C(=O)OC)nc(NC(CC[C@@H]2C(Nc3ccccc3C(N2)=O)=O)=O)s1 |
| Stereo: | ABSOLUTE |
| logP: | 3.1554 |
| logD: | 3.0822 |
| logSw: | -3.5606 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 106.091 |
| InChI Key: | MAOBAYKCIBBLET-CYBMUJFWSA-N |