1-{(S)-2-[(5-Bromo-pyrimidin-2-ylamino)methyl]-pyrrolidin-1-yl}-1-[5-(4-fluoro-phenyl)-2-methyl-thiazol-4-yl]-methanone

HCID 67089741

기본 정보

표준 SMILES
Cc1nc(C(=O)N2CCC[C@H]2CNc2ncc(Br)cn2)c(-c2ccc(F)cc2)s1
InChIKey
DTPKXQRGGKTBPV-INIZCTEOSA-N
분자식
C20H19BrFN5OS
평균 분자량
476.4 g/mol

이름 및 식별자

우선 이름
1-{(S)-2-[(5-Bromo-pyrimidin-2-ylamino)methyl]-pyrrolidin-1-yl}-1-[5-(4-fluoro-phenyl)-2-methyl-thiazol-4-yl]-methanone
IUPAC
[(2S)-2-[[(5-bromopyrimidin-2-yl)amino]methyl]pyrrolidin-1-yl]-[5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]methanone

이름 및 동의어

SCHEMBL1596579DTPKXQRGGKTBPV-INIZCTEOSA-N(S)-2-[(5-Bromo-pyrimidin-2-ylamino)methyl]-pyrrolidin-1-yl-1-[5-(4-fluoro-phenyl)-2-methyl-thiazol-4-yl]-methanone1-{(S)-2-[(5-Bromo-pyrimidin-2-ylamino)-methyl]-pyrrolidin-1-yl}-1-[5-(4-fluoro-phenyl)-2-methyl-thiazol-4-yl]-methanone1-{(S)-2-[(5-Bromo-pyrimidin-2-ylamino)methyl]-pyrrolidin-1-yl}-1-[5-(4-fluoro-phenyl)-2-methyl-thiazol-4-yl]-methanone

데이터베이스 식별자

PubChem CID
67089741

물성

구조 계산 물성

XLogP
4.4
극성 표면적
99.3 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
7
회전 가능 결합 수
5
무거운 원자 수
29

관련 반응

6건

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