4-[Cyclohexyl-(2-ethoxycarbonyl-ethyl)-amino]-2-methylsulfanyl-pyrimidine-5-carboxylic acid ethyl ester

HCID 68583496

기본 정보

표준 SMILES
CCOC(=O)CCN(c1nc(SC)ncc1C(=O)OCC)C1CCCCC1
InChIKey
LUYPTNXKKZDUHQ-UHFFFAOYSA-N
분자식
C19H29N3O4S
평균 분자량
395.5 g/mol

이름 및 식별자

우선 이름
4-[Cyclohexyl-(2-ethoxycarbonyl-ethyl)-amino]-2-methylsulfanyl-pyrimidine-5-carboxylic acid ethyl ester
IUPAC
ethyl 4-[cyclohexyl-(3-ethoxy-3-oxopropyl)amino]-2-methylsulfanylpyrimidine-5-carboxylate

이름 및 동의어

SCHEMBL3291033LUYPTNXKKZDUHQ-UHFFFAOYSA-N4-[cyclohexyl-(2-ethoxycarbonyl -ethyl)-amino]-2-methylsulfanyl-pyrimidine-5-carboxylic acid ethyl ester4-[Cyclohexyl-(2-ethoxycarbonyl-ethyl)-amino]-2-methylsulfanyl-pyrimidine-5-carboxylic acid ethyl ester

데이터베이스 식별자

PubChem CID
68583496

물성

구조 계산 물성

XLogP
3.7
극성 표면적
107 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
8
회전 가능 결합 수
11
무거운 원자 수
27

관련 반응

5건

화합물 노트

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4-[Cyclohexyl-(2-ethoxycarbonyl-ethyl)-amino]-2-methylsulfanyl-pyrimidine-5-carboxylic acid ethyl ester (HCID 68583496)|Huagongshe