기본 정보
- CAS
341964-76-9- 표준 SMILES
CC(C)Oc1cc(NC(=O)CS(=O)CC(=O)Nc2cccc(C(F)(F)F)c2)c(Cl)cc1Cl- InChIKey
WMAAYJJDFHPBOY-UHFFFAOYSA-N- 분자식
- C20H19Cl2F3N2O4S
- 평균 분자량
- 511.3 g/mol
- 단동위원소 질량
- 510.0394681
개요
2-[2-(2,4-dichloro-5-propan-2-yloxyanilino)-2-oxoethyl]sulfinyl-N-[3-(trifluoromethyl)phenyl]acetamide is a member of (trifluoromethyl)benzenes.
이름 및 식별자
- 우선 이름
- 2-[2-(2,4-dichloro-5-propan-2-yloxyanilino)-2-oxoethyl]sulfinyl-N-[3-(trifluoromethyl)phenyl]acetamide
- IUPAC
- 2-[2-(2,4-dichloro-5-propan-2-yloxyanilino)-2-oxoethyl]sulfinyl-N-[3-(trifluoromethyl)phenyl]acetamide
- 영어명
- 2-([2-(2,4-DICHLORO-5-ISOPROPOXYANILINO)-2-OXOETHYL]SULFINYL)-N-[3-(TRIFLUOROMETHYL)PHENYL]ACETAMIDE
- 분자식
- C20H19Cl2F3N2O4S
- 분자량
- 511.34
이름 및 동의어
341964-76-92-[2-(2,4-dichloro-5-propan-2-yloxyanilino)-2-oxoethyl]sulfinyl-N-[3-(trifluoromethyl)phenyl]acetamideSMR000178888MLS0003263212-{[2-(2,4-dichloro-5-isopropoxyanilino)-2-oxoethyl]sulfinyl}-N-[3-(trifluoromethyl)phenyl]acetamideN-[2,4-dichloro-5-(propan-2-yloxy)phenyl]-2-({[3-(trifluoromethyl)phenyl]carbamoyl}methanesulfinyl)acetamideCHEMBL1561150BDBM67925cid_1475478CHEBI:107818REGID_for_CID_1475478HMS2485G04
이름 더 보기
2-([2-(2,4-DICHLORO-5-ISOPROPOXYANILINO)-2-OXOETHYL]SULFINYL)-N-[3-(TRIFLUOROMETHYL)PHENYL]ACETAMIDEAcetamide, 2-[[2-[[2,4-dichloro-5-(1-methylethoxy)phenyl]amino]-2-oxoethyl]sulfinyl]-N-[3-(trifluoromethyl)phenyl]- (9CI)
AKOS00507532710L-337SQ271861542-[2-(2,4-dichloro-5-isopropoxy-anilino)-2-keto-ethyl]sulfinyl-N-[3-(trifluoromethyl)phenyl]acetamide2-[2-[[2,4-bis(chloranyl)-5-propan-2-yloxy-phenyl]amino]-2-oxidanylidene-ethyl]sulfinyl-N-[3-(trifluoromethyl)phenyl]ethanamideN-(2,4-dichloro-5-isopropoxyphenyl)-2-((2-oxo-2-((3-(trifluoromethyl)phenyl)amino)ethyl)sulfinyl)acetamide
데이터베이스 식별자
- CAS
341964-76-9- PubChem CID
- 1475478
- ChEMBL
CHEMBL1561150- ChEBI
CHEBI:107818
물성
구조 계산 물성
- XLogP
- 4.9
- 극성 표면적
- 104 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 32
- 형식 전하
- 0
- 복잡도
- 684
물리화학적 성질
- 끓는 점
- 715.8 · 715.8±60.0 °C(Predicted)
- 밀도
- 1.5 · 1.500±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 10.32 · 10.32±0.70(Predicted)
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