(S)-N-((3-(3-fluoro-4-(piperazin-1-yl)phenyl)-2-oxooxazolidin-5-yl)methyl)acetamide

HCID 10520848

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 154590-66-6
표준 SMILES: CC(=O)NC[C@H]1CN(c2ccc(N3CCNCC3)c(F)c2)C(=O)O1
InChIKey: DSRPYQXHWUDRBP-ZDUSSCGKSA-N
분자식: C16H21FN4O3
평균 분자량: 336.36 g/mol
단동위원소 질량: 336.15976875

이름 및 식별자

우선 이름: (S)-N-((3-(3-fluoro-4-(piperazin-1-yl)phenyl)-2-oxooxazolidin-5-yl)methyl)acetamide
IUPAC: N-[[(5S)-3-(3-fluoro-4-piperazin-1-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
영어명: (S)-N-((3-(3-Fluoro-4-piperazin-1-ylphenyl)-2-oxooxazolidin-5-yl)Methyl)-acetaMide
분자식: C16H21FN4O3
분자량: 336.36

이름 및 동의어

154590-66-6(S)-N-((3-(3-fluoro-4-(piperazin-1-yl)phenyl)-2-oxooxazolidin-5-yl)methyl)acetamideN-[[(5S)-3-[3-Fluoro-4-(1-piperazinyl)phenyl]-2-oxo-5-oxazolidinyl]methyl]acetamideMFCD18089805(S)-N-((3-(3-Fluoro-4-piperazin-1-ylphenyl)-2-oxooxazolidin-5-yl)Methyl)-acetaMideN-[[(5S)-3-(3-fluoro-4-piperazin-1-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamideN-{[(5S)-3-[3-FLUORO-4-(PIPERAZIN-1-YL)PHENYL]-2-OXO-1,3-OXAZOLIDIN-5-YL]METHYL}ACETAMIDEC16H21FN4O3Acetamide,N-[[(5S)-3-[3-fluoro-4-(1-piperazinyl)phenyl]-2-oxo-5-oxazolidinyl]methyl]-(S)-N-[[3-[3-Fluoro-4-(piperazin-1-yl)phenyl]-2-oxooxazolidin-5-yl]methyl]acetamideDSRPYQXHWUDRBP-ZDUSSCGKSA-NN-({(5S)-3-[3-Fluoro-4-(piperazin-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl}methyl)acetamide

이름 더 보기

N-[[(S)-3-[3-Fluoro-4-(piperazin-1-yl)phenyl]-2-oxooxazolidin-5-yl]methyl]acetamide(S)-N-((3-(3-Fluoro-4-(piperazin-1-yl)phenyl)-2-oxooxazolidin-5-yl)methyl)acetamide - [F92132]

SCHEMBL1894257CHEMBL1651124DTXSID00441237AKOS015924505AKOS015995158BS-15714SY289759DB-328156

데이터베이스 식별자

CAS: 154590-66-6
PubChem CID: 10520848
DTXSID: DTXSID00441237
ChEMBL: CHEMBL1651124
Nikkaji: J1.184.390E

물성

구조 계산 물성

XLogP: 0.4
극성 표면적: 73.9 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 6
회전 가능 결합 수: 4
무거운 원자 수: 24
형식 전하: 0
복잡도: 472

물리화학적 성질

끓는 점: 587.3 · 587.3±50.0 °C(Predicted)
밀도: 1.273 · 1.273±0.06 g/cm3(Predicted)
저장 조건: 2 · Storage temp. 2-8°C
산도 계수 (pKa): 15.53 · 15.53±0.46(Predicted)
InChI: InChI=1S/C16H21FN4O3/c1-11(22)19-9-13-10-21(16(23)24-13)12-2-3-15(14(17)8-12)20-6-4-18-5-7-20/h2-3,8,13,18H,4-7,9-10H2,1H3,(H,19,22)/t13-/m0/s1
InChIKey: DSRPYQXHWUDRBP-ZDUSSCGKSA-N
SMILES: C(NC[C@@H]1OC(=O)N(C2=CC=C(N3CCNCC3)C(F)=C2)C1)(=O)C