기본 정보
- 표준 SMILES
COC(=O)c1sc(-c2ccc(Cl)cc2)cc1N=CN(C)C- InChIKey
ALWFLYMKFZJTBB-UHFFFAOYSA-N- 분자식
- C15H15ClN2O2S
- 평균 분자량
- 322.8 g/mol
- 단동위원소 질량
- 322.0542766
이름 및 식별자
- 우선 이름
- Methyl 5-(4-chlorophenyl)-3-(dimethylaminomethyleneamino)thiophene-2-carboxylate
- IUPAC
- methyl 5-(4-chlorophenyl)-3-(dimethylaminomethylideneamino)thiophene-2-carboxylate
이름 및 동의어
methyl 5-(4-chlorophenyl)-3-{[(1E)-(dimethylamino)methylene]amino)thiophene-2-carboxylateMethyl 5-(4-chlorophenyl)-3-{[(1E)-(dimethylamino)methylene]amino}thiophene-2-carboxylateMethyl 5-(4-chlorophenyl)-3-{[(E)-(dimethylamino)methylidene]amino)-2-thiophenecarboxylateMethyl 5-(4-chlorophenyl)-3-{[(E)-(dimethylamino)methylidene]amino}-2-thiophenecarboxylateSCHEMBL1531291SCHEMBL1531292SCHEMBL5255875ALWFLYMKFZJTBB-RQZCQDPDSA-NALWFLYMKFZJTBB-UHFFFAOYSA-NDB-196044(E)-methyl 5-(4-chlorophenyl)-3-((dimethylamino)methylene-amino)thiophene-2-carboxylate5-(4-Chlorophenyl)-3-(dimethylamino-methyleneamino)-thiophene-2-carboxylic acid methyl ester
이름 더 보기
5-(4-Chlorophenyl)-3-(dimethylaminomethyleneamino)thiophene-2-carboxylic acid methyl esterMethyl 5-(4-chlorophenyl)-3-((dimethylamino)-methyleneamino)thiophene-2-carboxylatemethyl 5-(4-chlorophenyl)-3-((dimethylamino)methylene-amino)-thiophene-2-carboxylateMethyl 5-(4-chlorophenyl)-3-((dimethylamino)methyleneamino)thiophene-2-carboxylatemethyl 5-(4-chlorophenyl)-3-(dimethylaminomethyleneamino)thiophene-2-carboxylatemethyl 5-(4-chlorophenyl)-3-{[(1E)-(dimethylamino)methylidene]amino}thiophene-2-carboxylatemethyl 5-(4-chlorophenyl)-3-{[(dimethylamino)methylidene]amino]2-thiophenecarboxylate5-(4-Chloro-phenyl)-3-(dimethylamino-methyleneamino)-thiophene-2-carboxylic acid methyl ester
데이터베이스 식별자
- PubChem CID
- 11544322
- Nikkaji
- J2.413.228E
물성
구조 계산 물성
- XLogP
- 3.7
- 극성 표면적
- 70.1 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 21
- 형식 전하
- 0
- 복잡도
- 384
관련 반응
19건
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