2-(4-Chloro-2,6-dimethyl-phenoxy)-4-(1-hydroxymethyl-propylamino)-6-methyl-nicotinic acid methyl ester

HCID 10178647

기본 정보

표준 SMILES
CCC(CO)Nc1cc(C)nc(Oc2c(C)cc(Cl)cc2C)c1C(=O)OC
InChIKey
IWNVXQFPEPXFQP-UHFFFAOYSA-N
분자식
C20H25ClN2O4
평균 분자량
392.9 g/mol

이름 및 식별자

우선 이름
2-(4-Chloro-2,6-dimethyl-phenoxy)-4-(1-hydroxymethyl-propylamino)-6-methyl-nicotinic acid methyl ester
IUPAC
methyl 2-(4-chloro-2,6-dimethylphenoxy)-4-(1-hydroxybutan-2-ylamino)-6-methylpyridine-3-carboxylate

이름 및 동의어

SCHEMBL5844369IWNVXQFPEPXFQP-UHFFFAOYSA-N2-(4-Chloro-2,6-dimethyl-phenoxy)-4-(1-hydroxymethyl-propylamino)-6-methyl-nicotinic acid methyl ester2-(4-chloro-2,6-dimethyl-phenoxy)4-(1-hydroxymethyl-propylamino)-6-methyl-nicotinic acid methyl ester

데이터베이스 식별자

PubChem CID
10178647

물성

구조 계산 물성

XLogP
5.1
극성 표면적
80.7 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
6
회전 가능 결합 수
8
무거운 원자 수
27

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