Basic information
- Standard SMILES
Cc1cc(C(=O)O)ccc1Nc1ncc2c(n1)N(C1CCCC1)CC(C)(C)C(=O)N2C- InChIKey
QLTDJBPVKCMXSZ-UHFFFAOYSA-N- Molecular formula
- C23H29N5O3
- Average molar mass
- 423.5 g/mol
Names & identifiers
- Preferred name
- 4-(9-cyclopentyl-5,7,7-trimethyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-ylamino)-3-methyl-benzoic acid
- IUPAC
- 4-[(9-cyclopentyl-5,7,7-trimethyl-6-oxo-8H-pyrimido[4,5-b][1,4]diazepin-2-yl)amino]-3-methylbenzoic acid
Names & synonyms
SCHEMBL4077807QLTDJBPVKCMXSZ-UHFFFAOYSA-N4-(9-cyclopentyl-5,7,7-trimethyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-ylamino)-3-methyl-benzoic acid
Database identifiers
- PubChem CID
- 68903247
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 98.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 680
Related reactions
4 records
Linked notes
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