6-amino-4-(3-{[(1,3-benzoxazol-2-yl)sulfanyl]methyl}-4-methoxyphenyl)-3-methyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Chemical Structure Depiction of
6-amino-4-(3-{[(1,3-benzoxazol-2-yl)sulfanyl]methyl}-4-methoxyphenyl)-3-methyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
6-amino-4-(3-{[(1,3-benzoxazol-2-yl)sulfanyl]methyl}-4-methoxyphenyl)-3-methyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Compound characteristics
| Compound ID: | 4303-0815 |
| Compound Name: | 6-amino-4-(3-{[(1,3-benzoxazol-2-yl)sulfanyl]methyl}-4-methoxyphenyl)-3-methyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile |
| Molecular Weight: | 445.5 |
| Molecular Formula: | C23 H19 N5 O3 S |
| Smiles: | Cc1c2C(C(C#N)=C(N)Oc2[nH]n1)c1ccc(c(CSc2nc3ccccc3o2)c1)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7119 |
| logD: | 3.7119 |
| logSw: | -4.2211 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 94.573 |
| InChI Key: | QMAYWARMAXYELY-FQEVSTJZSA-N |