N-[2-(4-(2-Carbomethoxy-1-methylethenyl)phenyl)-1-methylethyl]-2-hydroxy-2-(2-methyl-thiazol-4-yl)ethanamine

HCID 53815041

기본 정보

표준 SMILES
COC(=O)C=C(C)c1ccc(CC(C)NCC(O)c2csc(C)n2)cc1
InChIKey
FRSLXVRUNXLHOB-UHFFFAOYSA-N
분자식
C20H26N2O3S
평균 분자량
374.5 g/mol
단동위원소 질량
374.16641387

이름 및 식별자

우선 이름
N-[2-(4-(2-Carbomethoxy-1-methylethenyl)phenyl)-1-methylethyl]-2-hydroxy-2-(2-methyl-thiazol-4-yl)ethanamine
IUPAC
methyl 3-[4-[2-[[2-hydroxy-2-(2-methyl-1,3-thiazol-4-yl)ethyl]amino]propyl]phenyl]but-2-enoate

이름 및 동의어

SCHEMBL8880197FRSLXVRUNXLHOB-UHFFFAOYSA-NN-[2-(4-(2-Carbomethoxy-1-methylethenyl)phenyl)-1-methylethyl]-2-hydroxy-2-(2-methyl-thiazol-4-yl) ethanamineN-[2-(4-(2-Carbomethoxy-1-methylethenyl)phenyl)-1-methylethyl]-2-hydroxy-2-(2-methyl-thiazol-4-yl)-ethanamineN-[2-(4-(2-Carbomethoxy-1-methylethenyl)phenyl)-1-methylethyl]-2-hydroxy-2-(2-methyl-thiazol-4-yl)ethanamine

데이터베이스 식별자

PubChem CID
53815041

물성

구조 계산 물성

XLogP
3.4
극성 표면적
99.7 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
6
회전 가능 결합 수
9
무거운 원자 수
26

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9건

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