Compound C31H43NO4

2-[6-[6-[1-ethyl-4-(1H-pyrrole-2-carbonyl)-2,3,3a,4,5,7a-hexahydro-1H-inden-5-yl]hexa-3,5-dien-3-yl]-5-methyloxan-2-yl]propanoic acid

CAS: 66513-28-8

Molecular Formula	`C31H43NO4`
Molecular Weight	493.7 g/mol
LogP	7.4
Topological Polar Surface Area	79.4 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	4
Rotatable Bonds	9
Exact Mass	493.3192
Heavy Atoms	36
Complexity	876.0

Chemical Identifiers

CAS Number	66513-28-8
SMILES	`CCC1CCC2C1C=CC(C2C(=O)C3=CC=CN3)C=CC=C(CC)C4C(CCC(O4)C(C)C(=O)O)C`
InChIKey	`BAIPOTOKPGDCHA-UHFFFAOYSA-N`

📖 Product Overview

Compound C31H43NO4 (CAS: 66513-28-8) is a chemical compound with molecular formula C31H43NO4 and molecular weight 493.7 g/mol. Its IUPAC systematic name is 2-[6-[6-[1-ethyl-4-(1H-pyrrole-2-carbonyl)-2,3,3a,4,5,7a-hexahydro-1H-inden-5-yl]hexa-3,5-dien-3-yl]-5-methyloxan-2-yl]propanoic acid. LogP 7.4 Topological Polar Surface Area 79.4 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 4 Rotatable Bonds 9 Exact Mass 493.3192 Heavy Atoms 36 Complexity 876.0 InChI Key: BAIPOTOKPGDCHA-UHFFFAOYSA-N. SMILES: CCC1CCC2C1C=CC(C2C(=O)C3=CC=CN3)C=CC=C(CC)C4C(CCC(O4)C(C)C(=O)O)C.

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