tert-butyl 3-{[(4-{[5-(3,5-difluorobenzyl)-1H-indazol-3-yl]carbamoyl}-3-[tetrahydro-2H-pyran-4-yl(trifluoroacetyl)amino]phenyl)amino]methyl}azetidine-1-carboxylate

HCID 86647629

기본 정보

표준 SMILES
CC(C)(C)OC(=O)N1CC(CNc2ccc(C(=O)Nc3n[nH]c4ccc(Cc5cc(F)cc(F)c5)cc34)c(N(C(=O)C(F)(F)F)C3CCOCC3)c2)C1
InChIKey
XDIYJVUXTXPZMS-UHFFFAOYSA-N
분자식
C37H39F5N6O5
평균 분자량
742.7 g/mol
단동위원소 질량
742.29020918

이름 및 식별자

우선 이름
tert-butyl 3-{[(4-{[5-(3,5-difluorobenzyl)-1H-indazol-3-yl]carbamoyl}-3-[tetrahydro-2H-pyran-4-yl(trifluoroacetyl)amino]phenyl)amino]methyl}azetidine-1-carboxylate
IUPAC
tert-butyl 3-[[4-[[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]carbamoyl]-3-[oxan-4-yl-(2,2,2-trifluoroacetyl)amino]anilino]methyl]azetidine-1-carboxylate

이름 및 동의어

tert-butyl 3-{[(4-{[5-(3,5-difluorobenzyl)-1H-indazol-3-yl]carbamoyl}-3-[tetrahydro-2H-pyran-4-yl(trifluoroacetyl)amino]phenyl)amino]methyl}azetidine-1-carboxylatetert-butyl 3-{[(4-{[5-(3,5-difluorobenzyl)-1H-indazol-3-yl]carbamoyl}-3-{tetrahydro-2H-pyran-4-yl(trifluoroacetyl)amino]phenyl)amino}methyl}azetidine-1-carboxylateSCHEMBL3512896DB-0969121108746-93-5

데이터베이스 식별자

PubChem CID
86647629

물성

구조 계산 물성

XLogP
6.6
극성 표면적
129 Ų
수소 결합 공여자 수
3
수소 결합 수용자 수
12
회전 가능 결합 수
11
무거운 원자 수
53

관련 반응

12건

화합물 노트

불러오는 중…