(R)-3-(2,5-Difluoro-4-methyl-benzyloxy)-5-(3-[4-(3-hydroxy-pyrrolidin-1-yl)-butyl]-ureido)-isothiazole-4-carboxylic acid amide

HCID 68504906

기본 정보

표준 SMILES
Cc1cc(F)c(COc2nsc(NC(=O)NCCCCN3CC[C@@H](O)C3)c2C(N)=O)cc1F
InChIKey
GRIBVKFHFTZOCK-CQSZACIVSA-N
분자식
C21H27F2N5O4S
평균 분자량
483.5 g/mol

이름 및 식별자

우선 이름
(R)-3-(2,5-Difluoro-4-methyl-benzyloxy)-5-(3-[4-(3-hydroxy-pyrrolidin-1-yl)-butyl]-ureido)-isothiazole-4-carboxylic acid amide
IUPAC
3-[(2,5-difluoro-4-methylphenyl)methoxy]-5-[4-[(3R)-3-hydroxypyrrolidin-1-yl]butylcarbamoylamino]-1,2-thiazole-4-carboxamide

이름 및 동의어

(R)-3-(2,5-Difluoro-4-methyl-benzyloxy)-5-(3-[4-(3-hydroxy-pyrrolidin-1-yl)-butyl]-ureido)-isothiazole-4-carboxylic acid amide(R)-3-(2,5-Difluoro-4-methyl-benzyloxy)-5-{3-[4-(3-hydroxy-pyrrolidin-1-yl)-butyl]-ureido}-isothiazole-4-carboxylic Acid AmideSCHEMBL3082594GRIBVKFHFTZOCK-CQSZACIVSA-N(R)-3-(2,5-Difluoro-4-methyl-benzyloxy)-5-{3-[4-(3-hydroxy-pyrrolidin-1-yl)-butyl] -ureido}-isothiazole-4-carboxylic acid amide

데이터베이스 식별자

PubChem CID
68504906

물성

구조 계산 물성

XLogP
2.4
극성 표면적
158 Ų
수소 결합 공여자 수
4
수소 결합 수용자 수
9
회전 가능 결합 수
10
무거운 원자 수
33

관련 반응

4건

화합물 노트

불러오는 중…