N-(4-butylphenyl)-2-{[4-(thiophen-2-yl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(4-butylphenyl)-2-{[4-(thiophen-2-yl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamide
N-(4-butylphenyl)-2-{[4-(thiophen-2-yl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | C201-1469 |
| Compound Name: | N-(4-butylphenyl)-2-{[4-(thiophen-2-yl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamide |
| Molecular Weight: | 447.62 |
| Molecular Formula: | C25 H25 N3 O S2 |
| Smiles: | CCCCc1ccc(cc1)NC(CSC1CC(c2cccs2)=Nc2ccccc2N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.4808 |
| logD: | 6.4805 |
| logSw: | -5.6586 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.357 |
| InChI Key: | NATKXKFYQFYTSN-UHFFFAOYSA-N |