2-[(3S)-2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl]-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide
Chemical Structure Depiction of
2-[(3S)-2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl]-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide
2-[(3S)-2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl]-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide
Compound characteristics
| Compound ID: | J100-0063 |
| Compound Name: | 2-[(3S)-2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl]-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide |
| Molecular Weight: | 373.43 |
| Molecular Formula: | C17 H19 N5 O3 S |
| Smiles: | CC(C)Cc1nnc(NC(C[C@H]2C(Nc3ccccc3C(N2)=O)=O)=O)s1 |
| Stereo: | ABSOLUTE |
| logP: | 2.2826 |
| logD: | 2.113 |
| logSw: | -3.0837 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 98.14 |
| InChI Key: | FURCNDIJVCYGDA-LBPRGKRZSA-N |