N-Ethyl-2,6-dimethyl-N-[3,3,3-trifluoro-2-({[1-(4-fluorophenyl)-1H-indazol-4-yl]amino}methyl)-2-hydroxypropyl]benzamide (HCID 45271025)

기본 정보

표준 SMILES: CCN(CC(O)(CNc1cccc2c1cnn2-c1ccc(F)cc1)C(F)(F)F)C(=O)c1c(C)cccc1C
InChIKey: IXLRTWFVVGBRCY-UHFFFAOYSA-N
분자식: C28H28F4N4O2
평균 분자량: 528.5 g/mol
단동위원소 질량: 528.2148388

이름 및 식별자

우선 이름: N-Ethyl-2,6-dimethyl-N-[3,3,3-trifluoro-2-({[1-(4-fluorophenyl)-1H-indazol-4-yl]amino}methyl)-2-hydroxypropyl]benzamide
IUPAC: N-ethyl-2,6-dimethyl-N-[3,3,3-trifluoro-2-[[[1-(4-fluorophenyl)indazol-4-yl]amino]methyl]-2-hydroxypropyl]benzamide

이름 및 동의어

CHEMBL550258SCHEMBL476836BDBM50414606N-Ethyl-2,6-dimethyl-N-[3,3,3-trifluoro-2-({[1-(4-fluorophenyl)-1H-indazol-4-yl]amino}methyl)-2-hydroxypropyl]benzamideN-ethyl-2,6-dimethyl-N-[3,3,3-trifluoro-2-[[[1-(4-fluorophenyl)indazol-4-yl]amino]methyl]-2-hydroxypropyl]benzamide

데이터베이스 식별자

PubChem CID: 45271025
ChEMBL: CHEMBL550258

물성

구조 계산 물성

XLogP: 5.9
극성 표면적: 70.4 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 8
회전 가능 결합 수: 8
무거운 원자 수: 38
형식 전하: 0
복잡도: 783

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