3-(4-Chloro-2,6-difluoro-benzyloxy)-5-(3-[3-(4-methyl-piperazin-1-yl)-propyl]-ureido)-isothiazole-4-carboxylic acid amide-hydrochloride salt

HCID 68501966

기본 정보

표준 SMILES
CN1CCN(CCCNC(=O)Nc2snc(OCc3c(F)cc(Cl)cc3F)c2C(N)=O)CC1.Cl
InChIKey
SYMMWKBRFZWODX-UHFFFAOYSA-N
분자식
C20H26Cl2F2N6O3S
평균 분자량
539.4 g/mol

이름 및 식별자

우선 이름
3-(4-Chloro-2,6-difluoro-benzyloxy)-5-(3-[3-(4-methyl-piperazin-1-yl)-propyl]-ureido)-isothiazole-4-carboxylic acid amide-hydrochloride salt
IUPAC
3-[(4-chloro-2,6-difluorophenyl)methoxy]-5-[3-(4-methylpiperazin-1-yl)propylcarbamoylamino]-1,2-thiazole-4-carboxamide;hydrochloride

이름 및 동의어

3-(4-chloro-2,6-difluoro-benzyloxy)-5-(3-[3-(4-methyl-piperazin-1-yl)-propyl]-ureido)-isothiazole-4-carboxylic acid amide-hydrochloride salt3-(4-chloro-2,6-difluoro-benzyloxy)-5-{3-[3-(4-methyl-piperazin-1-yl)-propyl]-ureido}-isothiazole-4-carboxylic acid amide-hydrochloride saltSCHEMBL3073925SYMMWKBRFZWODX-UHFFFAOYSA-N3-(4-chloro-2,6-difluoro-benzyloxy)-5-{3-[3-(4-methyl-piperazin-1-yl)-propyl]-ureido} -isothiazole-4-carboxylic acid amide-hydrochloride salt

데이터베이스 식별자

PubChem CID
68501966

물성

구조 계산 물성

극성 표면적
141 Ų
수소 결합 공여자 수
4
수소 결합 수용자 수
9
회전 가능 결합 수
9
무거운 원자 수
34

관련 반응

4건

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