2-{[(3,4-dimethoxybenzoyl)carbamothioyl]amino}-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide
Chemical Structure Depiction of
2-{[(3,4-dimethoxybenzoyl)carbamothioyl]amino}-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide
2-{[(3,4-dimethoxybenzoyl)carbamothioyl]amino}-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide
Compound characteristics
| Compound ID: | 3368-0232 |
| Compound Name: | 2-{[(3,4-dimethoxybenzoyl)carbamothioyl]amino}-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide |
| Molecular Weight: | 447.57 |
| Molecular Formula: | C21 H25 N3 O4 S2 |
| Smiles: | COc1ccc(cc1OC)C(NC(Nc1c(C(N)=O)c2CCCCCCc2s1)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0574 |
| logD: | 2.8686 |
| logSw: | -3.5343 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 82.605 |
| InChI Key: | OLYDXUAYUBVECQ-UHFFFAOYSA-N |