4-(6,7-Dimethoxy-9H-1,3,9-triaza-fluoren-4-yl)-piperazine-1-carbothioic acid(benzo[1,3]dioxol-5-ylmethyl)-amide

HCID 11237489

기본 정보

표준 SMILES
COc1cc2[nH]c3ncnc(N4CCN(C(=S)NCc5ccc6c(c5)OCO6)CC4)c3c2cc1OC
InChIKey
YVWCAAQIEDOOLZ-UHFFFAOYSA-N
분자식
C25H26N6O4S
평균 분자량
506.6 g/mol

이름 및 식별자

우선 이름
4-(6,7-Dimethoxy-9H-1,3,9-triaza-fluoren-4-yl)-piperazine-1-carbothioic acid(benzo[1,3]dioxol-5-ylmethyl)-amide
IUPAC
N-(1,3-benzodioxol-5-ylmethyl)-4-(6,7-dimethoxy-9H-pyrimido[4,5-b]indol-4-yl)piperazine-1-carbothioamide

이름 및 동의어

SCHEMBL2387430CHEMBL3914378YVWCAAQIEDOOLZ-UHFFFAOYSA-N4-(6,7-Dimethoxy-9H-1,3,9-triaza-fluoren-4-yl)-piperazine-1-carbothioic acid (benzo[1,3]-dioxol-5-ylmethyl)-amide4-(6,7-Dimethoxy-9H-1,3,9-triaza-fluoren-4-yl)-piperazine-1-carbothioic acid (benzo[1,3]dioxol-5-ylmethyl)-amide4-(6,7-Dimethoxy-9H-1,3,9-triaza-fluoren-4-yl)-piperazine-1-carbothioic acid (benzo[1.3]dioxol-5-ylmethyl)-amide4-(6,7-Dimethoxy-9H-1,3,9-triaza-fluoren-4-yl)-piperazine-1-carbothioic acid(benzo[1,3]dioxol-5-ylmethyl)-amide

데이터베이스 식별자

PubChem CID
11237489
ChEMBL
CHEMBL3914378

물성

구조 계산 물성

XLogP
3.4
극성 표면적
129 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
8
회전 가능 결합 수
5
무거운 원자 수
36

관련 반응

7건

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