Methyl 4-(3-methyl-1-oxobutyl)-1-(1-naphthalenylmethyl)-1H-pyrrole-3-carboxylate (HCID 5282541)

기본 정보

표준 SMILES: COC(=O)c1cn(Cc2cccc3ccccc23)cc1C(=O)CC(C)C
InChIKey: SSLVLVLTPGKZED-UHFFFAOYSA-N
분자식: C22H23NO3
평균 분자량: 349.4 g/mol

이름 및 식별자

우선 이름: Methyl 4-(3-methyl-1-oxobutyl)-1-(1-naphthalenylmethyl)-1H-pyrrole-3-carboxylate
IUPAC: methyl 4-(3-methylbutanoyl)-1-(naphthalen-1-ylmethyl)pyrrole-3-carboxylate

이름 및 동의어

Methyl 4-(3-methyl-1-oxobutyl)-1-(1-naphthalenylmethyl)-1H-pyrrole-3-carboxylate227321-69-9SCHEMBL6848160SSLVLVLTPGKZED-UHFFFAOYSA-NMFCD29052752DA-32595Methyl 4-(3-methyl-1-oxobutyl)-1-(1-naphthenylmethyl)-1H-pyrrole-3-carboxylate

데이터베이스 식별자

PubChem CID: 5282541

물성

구조 계산 물성

XLogP: 4.3
극성 표면적: 48.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 7
무거운 원자 수: 26
형식 전하: 0
복잡도: 504

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