tert-Butyl 4-(6-chloro-2-(methylthio)pyrimidin-4-yl)piperazine-1-carboxylate (HCID 58878061)

기본 정보

표준 SMILES: CSc1nc(Cl)cc(N2CCN(C(=O)OC(C)(C)C)CC2)n1
InChIKey: IIEXFEUXRIRMEH-UHFFFAOYSA-N
분자식: C14H21ClN4O2S
평균 분자량: 344.9 g/mol

이름 및 식별자

우선 이름: tert-Butyl 4-(6-chloro-2-(methylthio)pyrimidin-4-yl)piperazine-1-carboxylate
IUPAC: tert-butyl 4-(6-chloro-2-methylsulfanylpyrimidin-4-yl)piperazine-1-carboxylate

이름 및 동의어

932046-78-1tert-Butyl 4-(6-chloro-2-(methylthio)pyrimidin-4-yl)piperazine-1-carboxylate4-(6-Chloro-2-methylsulfanyl-pyrimidin-4-yl)-piperazine-1-carboxylic acid tert-butyl estertert-butyl 4-(6-chloro-2-methylsulfanylpyrimidin-4-yl)piperazine-1-carboxylateTERT-BUTYL 4-[6-CHLORO-2-(METHYLSULFANYL)PYRIMIDIN-4-YL]PIPERAZINE-1-CARBOXYLATESCHEMBL3874309IIEXFEUXRIRMEH-UHFFFAOYSA-NSBB075989AKOS015939724DB-25275826A-0007tert-butyl 4-(6-chloro-2-methylthiopyrimidin-4-yl)piperazinecarboxylate

이름 더 보기

tert-butyl 4-(6-chloro-2-methylsulfanyl-pyrimidin-4-yl)piperazine-1-carboxylatetert-Butyl4-(6-chloro-2-(methylthio)pyrimidin-4-yl)piperazine-1-carboxylate

데이터베이스 식별자

PubChem CID: 58878061

물성

구조 계산 물성

XLogP: 3.1
극성 표면적: 83.9 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 6
회전 가능 결합 수: 4
무거운 원자 수: 22
형식 전하: 0
복잡도: 386

화합물 노트

불러오는 중…