4,5,6,7-Tetrahydro-benzo[b]thiophene-2-carboxylic acid [3-(6-{3-amino-4-[(2-hydroxy-ethyl)-methyl-carbamoyl]-phenylamino}-4-methyl-5-oxo-4,5-dihydro-pyrazin-2-yl)-2-methyl-phenyl]-amide

HCID 58729103
노트반응
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
Cc1c(NC(=O)c2cc3c(s2)CCCC3)cccc1-c1cn(C)c(=O)c(Nc2ccc(C(=O)N(C)CCO)c(N)c2)n1
InChIKey
GVUWDEIREODMTC-UHFFFAOYSA-N
분자식
C31H34N6O4S
평균 분자량
586.7 g/mol

이름 및 식별자

우선 이름
4,5,6,7-Tetrahydro-benzo[b]thiophene-2-carboxylic acid [3-(6-{3-amino-4-[(2-hydroxy-ethyl)-methyl-carbamoyl]-phenylamino}-4-methyl-5-oxo-4,5-dihydro-pyrazin-2-yl)-2-methyl-phenyl]-amide
IUPAC
N-[3-[6-[3-amino-4-[2-hydroxyethyl(methyl)carbamoyl]anilino]-4-methyl-5-oxopyrazin-2-yl]-2-methylphenyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide

이름 및 동의어

SCHEMBL1068689GVUWDEIREODMTC-UHFFFAOYSA-N4,5,6,7-Tetrahydro-benzo[b]thiophene-2-carboxylic acid [3-(6-{3-amino-4-[(2-hydroxy-ethyl)-methyl-carbamoyl]-phenylamino}-4-methyl-5-oxo-4,5-dihydro-pyrazin-2-yl)-2-methyl-phenyl]-amide4,5,6,7-Tetrahydro-benzo[b]thiophene-2-carboxylic acid [3-(6-{3-amino-4-[(2-hydroxy-ethyl)-methyl-carbamoyl]-phenylamino}4-methyl-5-oxo-4,5-dihydro-pyrazin-2-yl)-2-methyl-phenyl]-amide

데이터베이스 식별자

PubChem CID
58729103

물성

구조 계산 물성

XLogP
3.6
극성 표면적
169 Ų
수소 결합 공여자 수
4
수소 결합 수용자 수
7
회전 가능 결합 수
8
무거운 원자 수
42

관련 반응

2건
반응 기록 만들기

화합물 노트

불러오는 중…