1-{3-nitro-4-[(5-propyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]phenyl}ethan-1-one
Chemical Structure Depiction of
1-{3-nitro-4-[(5-propyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]phenyl}ethan-1-one
1-{3-nitro-4-[(5-propyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]phenyl}ethan-1-one
Compound characteristics
| Compound ID: | D036-1721 |
| Compound Name: | 1-{3-nitro-4-[(5-propyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]phenyl}ethan-1-one |
| Molecular Weight: | 407.45 |
| Molecular Formula: | C20 H17 N5 O3 S |
| Smiles: | CCCn1c2ccccc2c2c1nc(nn2)Sc1ccc(cc1[N+]([O-])=O)C(C)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5678 |
| logD: | 4.5678 |
| logSw: | -4.401 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 79.864 |
| InChI Key: | BFBDCNRVVDASRQ-UHFFFAOYSA-N |