Methyl 3'-[4-(hydroxymethyl)-2-(methylsulfanyl)pyrimidin-5-yl]-4'-methoxy-2-methylbiphenyl-4-carboxylate (HCID 67514255)

기본 정보

표준 SMILES: COC(=O)c1ccc(-c2ccc(OC)c(-c3cnc(SC)nc3CO)c2)c(C)c1
InChIKey: ZNRUFNGHAUNADD-UHFFFAOYSA-N
분자식: C22H22N2O4S
평균 분자량: 410.5 g/mol
단동위원소 질량: 410.13002836

이름 및 식별자

우선 이름: Methyl 3'-[4-(hydroxymethyl)-2-(methylsulfanyl)pyrimidin-5-yl]-4'-methoxy-2-methylbiphenyl-4-carboxylate
IUPAC: methyl 4-[3-[4-(hydroxymethyl)-2-methylsulfanylpyrimidin-5-yl]-4-methoxyphenyl]-3-methylbenzoate

이름 및 동의어

SCHEMBL2725290ZNRUFNGHAUNADD-UHFFFAOYSA-Nmethyl 3'-[4-(hydroxymethyl)-2-(methylsulfanyl)pyrimidin-5-yl]-4'-methoxy-2-methylbiphenyl-4-carboxylatemethyl 4-[3-[4-(hydroxymethyl)-2-(methylsulfanyl)pyrimidin-5-yl]-4-methoxyphenyl]-3-methylbenzoate

데이터베이스 식별자

PubChem CID: 67514255

물성

구조 계산 물성

XLogP: 3.6
극성 표면적: 107 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 7
회전 가능 결합 수: 7
무거운 원자 수: 29
형식 전하: 0
복잡도: 537

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