2-(4-(Cyclopropyl(methyl)amino)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)acetic acid
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Basic information
- Standard SMILES
CN(c1nc(CC(=O)O)nc2sc3c(c12)CCCC3)C1CC1- InChIKey
ZIWLXPYWEKRHAM-UHFFFAOYSA-N- Molecular formula
- C16H19N3O2S
- Average molar mass
- 317.4 g/mol
Names & identifiers
- Preferred name
- 2-(4-(Cyclopropyl(methyl)amino)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)acetic acid
- IUPAC
- 2-[4-[cyclopropyl(methyl)amino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]acetic acid
Names & synonyms
{3-[cyclopropyl(methyl)amino]-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2,4,6-tetraen-5-yl}acetic acid1448865-41-52-(4-(cyclopropyl(methyl)amino)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)acetic acidSCHEMBL15140664ZIWLXPYWEKRHAM-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 89713699
Properties
Computed structural propertiesFilling in
- XLogP
- 3.3
- Topological polar surface area
- 94.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 445
Related reactions
2 records
Compound notes
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