N-[(4-benzyl-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl]-4-(morpholine-4-sulfonyl)benzamide
Chemical Structure Depiction of
N-[(4-benzyl-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl]-4-(morpholine-4-sulfonyl)benzamide
N-[(4-benzyl-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl]-4-(morpholine-4-sulfonyl)benzamide
Compound characteristics
| Compound ID: | 2515-5794 |
| Compound Name: | N-[(4-benzyl-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl]-4-(morpholine-4-sulfonyl)benzamide |
| Molecular Weight: | 473.57 |
| Molecular Formula: | C21 H23 N5 O4 S2 |
| Smiles: | C(C1=NNC(N1Cc1ccccc1)=S)NC(c1ccc(cc1)S(N1CCOCC1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1983 |
| logD: | 2.1399 |
| logSw: | -2.7612 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 91.745 |
| InChI Key: | YONCRVYJBQCLGE-UHFFFAOYSA-N |