[1,2,3]thiadiazole-4-carboxylic acid {4-[3-cyclopropylmethyl-1-(2-fluoro-benzyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-ylmethyl]-phenyl}-methyl-amide

HCID 58739256
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
CN(C(=O)c1csnn1)c1ccc(Cc2nc3c([nH]2)c(=O)n(Cc2ccccc2F)c(=O)n3CC2CC2)cc1
InChIKey
GMTQHTOWTZTIFF-UHFFFAOYSA-N
분자식
C27H24FN7O3S
평균 분자량
545.6 g/mol

이름 및 식별자

우선 이름
[1,2,3]thiadiazole-4-carboxylic acid {4-[3-cyclopropylmethyl-1-(2-fluoro-benzyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-ylmethyl]-phenyl}-methyl-amide
IUPAC
N-[4-[[3-(cyclopropylmethyl)-1-[(2-fluorophenyl)methyl]-2,6-dioxo-7H-purin-8-yl]methyl]phenyl]-N-methylthiadiazole-4-carboxamide

이름 및 동의어

[1,2,3]thiadiazole-4-carboxylic acid {4-[3-cyclopropylmethyl-1-(2-fluoro-benzyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-ylmethyl]-phenyl}-methyl-amide[1,2,3]thiadiazole-4-carboxylic acid {4-{3-cyclopropylmethyl-1-(2-fluoro-benzyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-ylmethyl]-phenyl}-methyl-amideSCHEMBL6097915GMTQHTOWTZTIFF-UHFFFAOYSA-N

데이터베이스 식별자

PubChem CID
58739256

물성

구조 계산 물성

XLogP
3.8
극성 표면적
144 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
8
회전 가능 결합 수
8
무거운 원자 수
39

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